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

C21H26N6 — CID 56759247

IUPACN-[1-(1-methylimidazol-2-yl)butyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCCCC(Nc1nc(-c2ccccc2)nc2c1CCNC2)c1nccn1C
InChIInChI=1S/C21H26N6/c1-3-7-17(21-23-12-13-27(21)2)24-20-16-10-11-22-14-18(16)25-19(26-20)15-8-5-4-6-9-15/h4-6,8-9,12-13,17,22H,3,7,10-11,14H2,1-2H3,(H,24,25,26)
InChIKeyQYQJFPLFRDGTTO-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.48
Rot. Bonds6

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

N-[1-(1-methylimidazol-2-yl)butyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 56759247) has the molecular formula C21H26N6 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[1-(1-methylimidazol-2-yl)butyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(1-methylimidazol-2-yl)butyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID56759247
Molecular FormulaC21H26N6
Molecular Weight362.48 g/mol
Exact Mass362.22
IUPAC NameN-[1-(1-methylimidazol-2-yl)butyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCCCC(Nc1nc(-c2ccccc2)nc2c1CCNC2)c1nccn1C
InChIInChI=1S/C21H26N6/c1-3-7-17(21-23-12-13-27(21)2)24-20-16-10-11-22-14-18(16)25-19(26-20)15-8-5-4-6-9-15/h4-6,8-9,12-13,17,22H,3,7,10-11,14H2,1-2H3,(H,24,25,26)
InChIKeyQYQJFPLFRDGTTO-UHFFFAOYSA-N
XLogP3.48
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 95229618
N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 95229619
N-[(2S)-1-methoxypropan-2-yl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 95727447
N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56740809
N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 97205691
N-(2-morpholin-4-ylethyl)-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56758389
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylquinazolin-4-amine
CID 24541703
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56747345
(3R)-N-ethyl-1-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 95222188
4-chloro-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 115045658
2-phenyl-N-[(2S)-2-pyridin-3-yloxypropyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 95214429
N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 95221672

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylimidazol-2-yl)butyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(1-methylimidazol-2-yl)butyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 56759247) is N-[1-(1-methylimidazol-2-yl)butyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(1-methylimidazol-2-yl)butyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(1-methylimidazol-2-yl)butyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is CCCC(Nc1nc(-c2ccccc2)nc2c1CCNC2)c1nccn1C.
What is the InChIKey of N-[1-(1-methylimidazol-2-yl)butyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is QYQJFPLFRDGTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6/c1-3-7-17(21-23-12-13-27(21)2)24-20-16-10-11-22-14-18(16)25-19(26-20)15-8-5-4-6-9-15/h4-6,8-9,12-13,17,22H,3,7,10-11,14H2,1-2H3,(H,24,25,26).
What are the key properties of N-[1-(1-methylimidazol-2-yl)butyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
N-[1-(1-methylimidazol-2-yl)butyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 362.48 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylimidazol-2-yl)butyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56759247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).