4-(5-benzyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidin-2-amine

C28H26N6O — CID 90165844

IUPAC4-(5-benzyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidin-2-amine
SMILESCc1cnc(Nc2ccc(-n3ccnc3)cc2)nc1-c1cc2c(o1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C28H26N6O/c1-20-16-30-28(31-23-7-9-24(10-8-23)34-14-12-29-19-34)32-27(20)26-15-22-18-33(13-11-25(22)35-26)17-21-5-3-2-4-6-21/h2-10,12,14-16,19H,11,13,17-18H2,1H3,(H,30,31,32)
InChIKeyKTRVZZSHRJJEOS-UHFFFAOYSA-N
MW462.56 g/mol
LogP5.53
Rot. Bonds6

About 4-(5-benzyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidin-2-amine

4-(5-benzyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidin-2-amine (PubChem CID 90165844) has the molecular formula C28H26N6O and a molecular weight of 462.56 g/mol. Its IUPAC name is 4-(5-benzyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-benzyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidin-2-amine
PubChem CID90165844
Molecular FormulaC28H26N6O
Molecular Weight462.56 g/mol
Exact Mass462.22
IUPAC Name4-(5-benzyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidin-2-amine
SMILESCc1cnc(Nc2ccc(-n3ccnc3)cc2)nc1-c1cc2c(o1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C28H26N6O/c1-20-16-30-28(31-23-7-9-24(10-8-23)34-14-12-29-19-34)32-27(20)26-15-22-18-33(13-11-25(22)35-26)17-21-5-3-2-4-6-21/h2-10,12,14-16,19H,11,13,17-18H2,1H3,(H,30,31,32)
InChIKeyKTRVZZSHRJJEOS-UHFFFAOYSA-N
XLogP5.53
TPSA72.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.56
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(5-benzyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidin-2-amine with MolForge

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Related Compounds

5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-2-yl)pyrimidin-2-amine
CID 90165813
5-methyl-N-(4-morpholin-4-ylphenyl)-4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-2-yl)pyrimidin-2-amine
CID 90165845
6-[(3,4-dimethylphenyl)methyl]-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960619
4-imidazol-1-yl-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 134383458
3-[2-[5-methyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carbonyl]benzonitrile
CID 155529301
6-[(3-chlorophenyl)methyl]-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 46346006
5-methyl-N-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-4-(6-methylsulfonyl-5,7-dihydro-4H-furo[2,3-c]pyridin-2-yl)pyrimidin-2-amine
CID 86271280
3-[[2-(4-imidazol-1-ylanilino)-5-methylpyrimidin-4-yl]amino]-N-prop-1-en-2-ylbenzenesulfonamide
CID 89190588
N-(4-methoxyphenyl)-6-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960365
2-N-(4-imidazol-1-ylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 117083396
4-[2-[[2-(4-imidazol-1-ylanilino)-5-methylpyrimidin-4-yl]amino]ethyl]phenol
CID 117089740
6-[(3-ethoxyphenyl)methyl]-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960622

Frequently Asked Questions

What is the IUPAC name of 4-(5-benzyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidin-2-amine?
The IUPAC name of 4-(5-benzyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidin-2-amine (CID 90165844) is 4-(5-benzyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(5-benzyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-(5-benzyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidin-2-amine is Cc1cnc(Nc2ccc(-n3ccnc3)cc2)nc1-c1cc2c(o1)CCN(Cc1ccccc1)C2.
What is the InChIKey of 4-(5-benzyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidin-2-amine?
The InChIKey is KTRVZZSHRJJEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O/c1-20-16-30-28(31-23-7-9-24(10-8-23)34-14-12-29-19-34)32-27(20)26-15-22-18-33(13-11-25(22)35-26)17-21-5-3-2-4-6-21/h2-10,12,14-16,19H,11,13,17-18H2,1H3,(H,30,31,32).
What are the key properties of 4-(5-benzyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidin-2-amine?
4-(5-benzyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidin-2-amine has a molecular weight of 462.56 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-benzyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidin-2-amine is sourced from PubChem (CID 90165844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).