N-[4-(imidazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine

C17H18N6 — CID 170324799

IUPACN-[4-(imidazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESc1cn(Cc2ccc(Nc3ncc4c(n3)CNCC4)cc2)cn1
InChIInChI=1S/C17H18N6/c1-3-15(4-2-13(1)11-23-8-7-19-12-23)21-17-20-9-14-5-6-18-10-16(14)22-17/h1-4,7-9,12,18H,5-6,10-11H2,(H,20,21,22)
InChIKeyTWONADNQDFOJFE-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.11
Rot. Bonds4

About N-[4-(imidazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine

N-[4-(imidazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (PubChem CID 170324799) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[4-(imidazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-(imidazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
PubChem CID170324799
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC NameN-[4-(imidazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESc1cn(Cc2ccc(Nc3ncc4c(n3)CNCC4)cc2)cn1
InChIInChI=1S/C17H18N6/c1-3-15(4-2-13(1)11-23-8-7-19-12-23)21-17-20-9-14-5-6-18-10-16(14)22-17/h1-4,7-9,12,18H,5-6,10-11H2,(H,20,21,22)
InChIKeyTWONADNQDFOJFE-UHFFFAOYSA-N
XLogP2.11
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 170324062
N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 170324513
N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 170324271
N-[4-(imidazol-1-ylmethyl)phenyl]-5-nitropyrimidin-2-amine
CID 133467421
N-(2-methylsulfonyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 170324596
5-[4-(imidazol-1-ylmethyl)phenyl]-2,3-dihydro-1H-isoindole
CID 72910079
tert-butyl 7-[2-[4-(imidazol-1-ylmethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 170324521
methyl 2-[2-fluoro-4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-ylamino)phenyl]acetate
CID 177364032
N-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 170324420
N-[4-(imidazol-1-ylmethyl)phenyl]-4-[4-(oxan-4-yloxy)phenyl]pyrimidin-2-amine
CID 141304812
5-[[5-fluoro-4-[4-(imidazol-1-ylmethyl)anilino]pyrimidin-2-yl]amino]-N,2-dimethylbenzenesulfonamide;dihydrochloride
CID 68929548
N-[4-(imidazol-1-ylmethyl)phenyl]methanimine
CID 123643271

Frequently Asked Questions

What is the IUPAC name of N-[4-(imidazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of N-[4-(imidazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (CID 170324799) is N-[4-(imidazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for N-[4-(imidazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for N-[4-(imidazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is c1cn(Cc2ccc(Nc3ncc4c(n3)CNCC4)cc2)cn1.
What is the InChIKey of N-[4-(imidazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is TWONADNQDFOJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c1-3-15(4-2-13(1)11-23-8-7-19-12-23)21-17-20-9-14-5-6-18-10-16(14)22-17/h1-4,7-9,12,18H,5-6,10-11H2,(H,20,21,22).
What are the key properties of N-[4-(imidazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
N-[4-(imidazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 306.37 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(imidazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 170324799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).