2-methyl-N-[(2-phenylphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

C21H22N4 — CID 56748214

IUPAC2-methyl-N-[(2-phenylphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCc1nc2c(c(NCc3ccccc3-c3ccccc3)n1)CCNC2
InChIInChI=1S/C21H22N4/c1-15-24-20-14-22-12-11-19(20)21(25-15)23-13-17-9-5-6-10-18(17)16-7-3-2-4-8-16/h2-10,22H,11-14H2,1H3,(H,23,24,25)
InChIKeyYIMRORDBOLONLA-UHFFFAOYSA-N
MW330.44 g/mol
LogP3.71
Rot. Bonds4

About 2-methyl-N-[(2-phenylphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

2-methyl-N-[(2-phenylphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 56748214) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is 2-methyl-N-[(2-phenylphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-phenylphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID56748214
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name2-methyl-N-[(2-phenylphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCc1nc2c(c(NCc3ccccc3-c3ccccc3)n1)CCNC2
InChIInChI=1S/C21H22N4/c1-15-24-20-14-22-12-11-19(20)21(25-15)23-13-17-9-5-6-10-18(17)16-7-3-2-4-8-16/h2-10,22H,11-14H2,1H3,(H,23,24,25)
InChIKeyYIMRORDBOLONLA-UHFFFAOYSA-N
XLogP3.71
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56760183
N-[(2-bromophenyl)methyl]-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145298
N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56908166
N-[3-(2-ethoxyphenyl)propyl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56750060
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
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-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 95219752
2-methyl-N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145292
N-(1,3-benzothiazol-2-ylmethyl)-2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine;dihydrochloride
CID 154888904
N-[(4-bromophenyl)methyl]-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145286
[2-[3-fluoro-4-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]phenyl]phenyl] hydrogen carbonate
CID 70340412
N-(2-morpholin-4-ylethyl)-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56758389

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-phenylphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[(2-phenylphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 56748214) is 2-methyl-N-[(2-phenylphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[(2-phenylphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[(2-phenylphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is Cc1nc2c(c(NCc3ccccc3-c3ccccc3)n1)CCNC2.
What is the InChIKey of 2-methyl-N-[(2-phenylphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is YIMRORDBOLONLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-15-24-20-14-22-12-11-19(20)21(25-15)23-13-17-9-5-6-10-18(17)16-7-3-2-4-8-16/h2-10,22H,11-14H2,1H3,(H,23,24,25).
What are the key properties of 2-methyl-N-[(2-phenylphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
2-methyl-N-[(2-phenylphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 330.44 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-phenylphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56748214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).