2-methyl-N'-[4-morpholin-4-yl-6-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]furo[3,2-d]pyrimidin-2-yl]-N-[(Z)-1-phenylprop-1-enyl]butanimidamide

C33H41N5O2 — CID 166164391

IUPAC2-methyl-N'-[4-morpholin-4-yl-6-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]furo[3,2-d]pyrimidin-2-yl]-N-[(Z)-1-phenylprop-1-enyl]butanimidamide
SMILESC/C=C\C(=C/C=C/CC)c1cc2nc(/N=C(/N/C(=C\C)c3ccccc3)C(C)CC)nc(N3CCOCC3)c2o1
InChIInChI=1S/C33H41N5O2/c1-6-10-12-18-26(15-7-2)29-23-28-30(40-29)32(38-19-21-39-22-20-38)37-33(35-28)36-31(24(5)8-3)34-27(9-4)25-16-13-11-14-17-25/h7,9-18,23-24H,6,8,19-22H2,1-5H3,(H,34,35,36,37)/b12-10+,15-7-,26-18+,27-9-
InChIKeyBGWJNDDKYYKLOA-BDPQPOROSA-N
MW539.72 g/mol
LogP7.71
Rot. Bonds10

About 2-methyl-N'-[4-morpholin-4-yl-6-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]furo[3,2-d]pyrimidin-2-yl]-N-[(Z)-1-phenylprop-1-enyl]butanimidamide

2-methyl-N'-[4-morpholin-4-yl-6-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]furo[3,2-d]pyrimidin-2-yl]-N-[(Z)-1-phenylprop-1-enyl]butanimidamide (PubChem CID 166164391) has the molecular formula C33H41N5O2 and a molecular weight of 539.72 g/mol. Its IUPAC name is 2-methyl-N'-[4-morpholin-4-yl-6-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]furo[3,2-d]pyrimidin-2-yl]-N-[(Z)-1-phenylprop-1-enyl]butanimidamide.

Molecular Properties

Compound Name2-methyl-N'-[4-morpholin-4-yl-6-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]furo[3,2-d]pyrimidin-2-yl]-N-[(Z)-1-phenylprop-1-enyl]butanimidamide
PubChem CID166164391
Molecular FormulaC33H41N5O2
Molecular Weight539.72 g/mol
Exact Mass539.33
IUPAC Name2-methyl-N'-[4-morpholin-4-yl-6-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]furo[3,2-d]pyrimidin-2-yl]-N-[(Z)-1-phenylprop-1-enyl]butanimidamide
SMILESC/C=C\C(=C/C=C/CC)c1cc2nc(/N=C(/N/C(=C\C)c3ccccc3)C(C)CC)nc(N3CCOCC3)c2o1
InChIInChI=1S/C33H41N5O2/c1-6-10-12-18-26(15-7-2)29-23-28-30(40-29)32(38-19-21-39-22-20-38)37-33(35-28)36-31(24(5)8-3)34-27(9-4)25-16-13-11-14-17-25/h7,9-18,23-24H,6,8,19-22H2,1-5H3,(H,34,35,36,37)/b12-10+,15-7-,26-18+,27-9-
InChIKeyBGWJNDDKYYKLOA-BDPQPOROSA-N
XLogP7.71
TPSA75.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.72
LogP ≤ 57.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-methyl-N'-[4-morpholin-4-yl-6-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]furo[3,2-d]pyrimidin-2-yl]-N-[(Z)-1-phenylprop-1-enyl]butanimidamide with MolForge

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Related Compounds

4-morpholin-4-yl-6-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-N-(4-phenyl-1,3-oxazol-2-yl)furo[3,2-d]pyrimidin-2-amine
CID 166164854
2-methyl-4-morpholin-4-yl-6-[(3E,5Z)-octa-3,5,7-trien-3-yl]furo[3,2-d]pyrimidine
CID 166164967
4-[5-methyl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 168921751
trimethyl-[7-morpholin-4-yl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]stannane
CID 168921770
N-methyl-1-(3-methylphenyl)-2-[7-morpholin-4-yl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]oxyethanamine
CID 168921979
4-[5-(3-nonan-3-ylpyrazol-1-yl)-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 168921937
2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxylic acid
CID 166164831
6-[(3E)-2-methylhepta-1,3-dien-4-yl]-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine
CID 166164813
4-chloro-6-[(2E,4E)-1-(3-methylimidazol-4-yl)-2-[(Z)-prop-1-enyl]hepta-2,4-dienyl]-2-(4-methylpiperazin-1-yl)-3-phenylquinoline
CID 129043697
2-chloro-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
CID 86618417
4-morpholin-4-yl-N-(oxan-4-yl)-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide
CID 166738354
4-morpholin-4-yl-2-phenylquinazolin-6-ol
CID 3100191

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[4-morpholin-4-yl-6-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]furo[3,2-d]pyrimidin-2-yl]-N-[(Z)-1-phenylprop-1-enyl]butanimidamide?
The IUPAC name of 2-methyl-N'-[4-morpholin-4-yl-6-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]furo[3,2-d]pyrimidin-2-yl]-N-[(Z)-1-phenylprop-1-enyl]butanimidamide (CID 166164391) is 2-methyl-N'-[4-morpholin-4-yl-6-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]furo[3,2-d]pyrimidin-2-yl]-N-[(Z)-1-phenylprop-1-enyl]butanimidamide.
What is the SMILES notation for 2-methyl-N'-[4-morpholin-4-yl-6-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]furo[3,2-d]pyrimidin-2-yl]-N-[(Z)-1-phenylprop-1-enyl]butanimidamide?
The canonical SMILES for 2-methyl-N'-[4-morpholin-4-yl-6-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]furo[3,2-d]pyrimidin-2-yl]-N-[(Z)-1-phenylprop-1-enyl]butanimidamide is C/C=C\C(=C/C=C/CC)c1cc2nc(/N=C(/N/C(=C\C)c3ccccc3)C(C)CC)nc(N3CCOCC3)c2o1.
What is the InChIKey of 2-methyl-N'-[4-morpholin-4-yl-6-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]furo[3,2-d]pyrimidin-2-yl]-N-[(Z)-1-phenylprop-1-enyl]butanimidamide?
The InChIKey is BGWJNDDKYYKLOA-BDPQPOROSA-N. The full InChI is InChI=1S/C33H41N5O2/c1-6-10-12-18-26(15-7-2)29-23-28-30(40-29)32(38-19-21-39-22-20-38)37-33(35-28)36-31(24(5)8-3)34-27(9-4)25-16-13-11-14-17-25/h7,9-18,23-24H,6,8,19-22H2,1-5H3,(H,34,35,36,37)/b12-10+,15-7-,26-18+,27-9-.
What are the key properties of 2-methyl-N'-[4-morpholin-4-yl-6-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]furo[3,2-d]pyrimidin-2-yl]-N-[(Z)-1-phenylprop-1-enyl]butanimidamide?
2-methyl-N'-[4-morpholin-4-yl-6-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]furo[3,2-d]pyrimidin-2-yl]-N-[(Z)-1-phenylprop-1-enyl]butanimidamide has a molecular weight of 539.72 g/mol, XLogP of 7.71, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[4-morpholin-4-yl-6-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]furo[3,2-d]pyrimidin-2-yl]-N-[(Z)-1-phenylprop-1-enyl]butanimidamide is sourced from PubChem (CID 166164391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).