2-methyl-4-morpholin-4-yl-6-[(3E,5Z)-octa-3,5,7-trien-3-yl]furo[3,2-d]pyrimidine

C19H23N3O2 — CID 166164967

IUPAC2-methyl-4-morpholin-4-yl-6-[(3E,5Z)-octa-3,5,7-trien-3-yl]furo[3,2-d]pyrimidine
SMILESC=C/C=C\C=C(/CC)c1cc2nc(C)nc(N3CCOCC3)c2o1
InChIInChI=1S/C19H23N3O2/c1-4-6-7-8-15(5-2)17-13-16-18(24-17)19(21-14(3)20-16)22-9-11-23-12-10-22/h4,6-8,13H,1,5,9-12H2,2-3H3/b7-6-,15-8+
InChIKeyYFHCIYXMSJZCEA-WLYYOSHGSA-N
MW325.41 g/mol
LogP3.90
Rot. Bonds5

About 2-methyl-4-morpholin-4-yl-6-[(3E,5Z)-octa-3,5,7-trien-3-yl]furo[3,2-d]pyrimidine

2-methyl-4-morpholin-4-yl-6-[(3E,5Z)-octa-3,5,7-trien-3-yl]furo[3,2-d]pyrimidine (PubChem CID 166164967) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-methyl-4-morpholin-4-yl-6-[(3E,5Z)-octa-3,5,7-trien-3-yl]furo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-morpholin-4-yl-6-[(3E,5Z)-octa-3,5,7-trien-3-yl]furo[3,2-d]pyrimidine
PubChem CID166164967
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-methyl-4-morpholin-4-yl-6-[(3E,5Z)-octa-3,5,7-trien-3-yl]furo[3,2-d]pyrimidine
SMILESC=C/C=C\C=C(/CC)c1cc2nc(C)nc(N3CCOCC3)c2o1
InChIInChI=1S/C19H23N3O2/c1-4-6-7-8-15(5-2)17-13-16-18(24-17)19(21-14(3)20-16)22-9-11-23-12-10-22/h4,6-8,13H,1,5,9-12H2,2-3H3/b7-6-,15-8+
InChIKeyYFHCIYXMSJZCEA-WLYYOSHGSA-N
XLogP3.90
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 166164666
CID 166164666
4-[2-[4-(3-methylphenyl)pyrazol-1-yl]-6-[(3E,5Z)-octa-3,5,7-trien-3-yl]furo[3,2-d]pyrimidin-4-yl]morpholin-3-one
CID 166164823
2-methyl-4-morpholin-4-yl-6-nonan-4-ylfuro[3,2-d]pyrimidine
CID 166164830
2-chloro-7-methyl-4-morpholin-4-yl-6-[(4E,6Z)-nona-4,6,8-trien-4-yl]furo[3,2-d]pyrimidine
CID 166164851
2-methyl-4-morpholin-4-yl-6-(1,3-oxazol-2-yl)furo[3,2-d]pyrimidine
CID 166164919
2-chloro-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
CID 86618417
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-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-chloro-N-[2-[5-methyl-3-(2-methyl-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]acetamide
CID 166738382
4-[2-methyl-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59582499
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
ethane;2-methyl-2-[4-[(2-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 143565866

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-morpholin-4-yl-6-[(3E,5Z)-octa-3,5,7-trien-3-yl]furo[3,2-d]pyrimidine?
The IUPAC name of 2-methyl-4-morpholin-4-yl-6-[(3E,5Z)-octa-3,5,7-trien-3-yl]furo[3,2-d]pyrimidine (CID 166164967) is 2-methyl-4-morpholin-4-yl-6-[(3E,5Z)-octa-3,5,7-trien-3-yl]furo[3,2-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-morpholin-4-yl-6-[(3E,5Z)-octa-3,5,7-trien-3-yl]furo[3,2-d]pyrimidine?
The canonical SMILES for 2-methyl-4-morpholin-4-yl-6-[(3E,5Z)-octa-3,5,7-trien-3-yl]furo[3,2-d]pyrimidine is C=C/C=C\C=C(/CC)c1cc2nc(C)nc(N3CCOCC3)c2o1.
What is the InChIKey of 2-methyl-4-morpholin-4-yl-6-[(3E,5Z)-octa-3,5,7-trien-3-yl]furo[3,2-d]pyrimidine?
The InChIKey is YFHCIYXMSJZCEA-WLYYOSHGSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-4-6-7-8-15(5-2)17-13-16-18(24-17)19(21-14(3)20-16)22-9-11-23-12-10-22/h4,6-8,13H,1,5,9-12H2,2-3H3/b7-6-,15-8+.
What are the key properties of 2-methyl-4-morpholin-4-yl-6-[(3E,5Z)-octa-3,5,7-trien-3-yl]furo[3,2-d]pyrimidine?
2-methyl-4-morpholin-4-yl-6-[(3E,5Z)-octa-3,5,7-trien-3-yl]furo[3,2-d]pyrimidine has a molecular weight of 325.41 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-morpholin-4-yl-6-[(3E,5Z)-octa-3,5,7-trien-3-yl]furo[3,2-d]pyrimidine is sourced from PubChem (CID 166164967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).