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

C28H29N5O3 — CID 166164854

IUPAC4-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
SMILESC/C=C\C(=C/C=C/CC)c1cc2nc(Nc3nc(-c4ccccc4)co3)nc(N3CCOCC3)c2o1
InChIInChI=1S/C28H29N5O3/c1-3-5-7-13-21(10-4-2)24-18-22-25(36-24)26(33-14-16-34-17-15-33)31-27(29-22)32-28-30-23(19-35-28)20-11-8-6-9-12-20/h4-13,18-19H,3,14-17H2,1-2H3,(H,29,30,31,32)/b7-5+,10-4-,21-13+
InChIKeyCAVGSUKYZCISTN-WEIYLOFASA-N
MW483.57 g/mol
LogP6.38
Rot. Bonds8

About 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

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 (PubChem CID 166164854) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID166164854
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC Name4-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
SMILESC/C=C\C(=C/C=C/CC)c1cc2nc(Nc3nc(-c4ccccc4)co3)nc(N3CCOCC3)c2o1
InChIInChI=1S/C28H29N5O3/c1-3-5-7-13-21(10-4-2)24-18-22-25(36-24)26(33-14-16-34-17-15-33)31-27(29-22)32-28-30-23(19-35-28)20-11-8-6-9-12-20/h4-13,18-19H,3,14-17H2,1-2H3,(H,29,30,31,32)/b7-5+,10-4-,21-13+
InChIKeyCAVGSUKYZCISTN-WEIYLOFASA-N
XLogP6.38
TPSA89.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.57
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
2-[[1-(dimethylsulfamoyl)-3-phenylpyrazol-5-yl]amino]-N-methylsulfonyl-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
CID 166164460
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
4-morpholin-4-yl-N-(5-phenyl-1H-pyrazol-3-yl)-6-pyridin-4-ylfuro[3,2-d]pyrimidin-2-amine
CID 166164600
N,N-dimethyl-5-[(4-morpholin-4-yl-6-pyridin-4-ylfuro[3,2-d]pyrimidin-2-yl)amino]-3-phenylpyrazole-1-sulfonamide
CID 166164520
6-[[2-methoxyethyl(methyl)amino]methyl]-4-morpholin-4-yl-N-(5-phenyl-1H-pyrazol-3-yl)furo[3,2-d]pyrimidin-2-amine
CID 168728066
N-methyl-4-morpholin-4-yl-2-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]furo[3,2-d]pyrimidine-6-carboxamide
CID 166738347
2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxylic acid
CID 166164831
7-morpholin-4-yl-5-(3-phenylpyrazol-1-yl)furo[3,2-b]pyridine-2-carboxylic acid
CID 166156177
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C=C\C(=C/C=C/CC)c1cc2nc(Nc3nc(-c4ccccc4)co3)nc(N3CCOCC3)c2o1.
What is the InChIKey of 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?
The InChIKey is CAVGSUKYZCISTN-WEIYLOFASA-N. The full InChI is InChI=1S/C28H29N5O3/c1-3-5-7-13-21(10-4-2)24-18-22-25(36-24)26(33-14-16-34-17-15-33)31-27(29-22)32-28-30-23(19-35-28)20-11-8-6-9-12-20/h4-13,18-19H,3,14-17H2,1-2H3,(H,29,30,31,32)/b7-5+,10-4-,21-13+.
What are the key properties of 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?
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 has a molecular weight of 483.57 g/mol, XLogP of 6.38, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166164854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).