N-methyl-2-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

C19H22N6 — CID 56753256

IUPACN-methyl-2-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCN(CCc1cn[nH]c1)c1nc(-c2ccccc2)nc2c1CCNC2
InChIInChI=1S/C19H22N6/c1-25(10-8-14-11-21-22-12-14)19-16-7-9-20-13-17(16)23-18(24-19)15-5-3-2-4-6-15/h2-6,11-12,20H,7-10,13H2,1H3,(H,21,22)
InChIKeyOPUMRRVTQHDEEB-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.19
Rot. Bonds5

About N-methyl-2-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

N-methyl-2-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 56753256) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is N-methyl-2-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID56753256
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC NameN-methyl-2-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCN(CCc1cn[nH]c1)c1nc(-c2ccccc2)nc2c1CCNC2
InChIInChI=1S/C19H22N6/c1-25(10-8-14-11-21-22-12-14)19-16-7-9-20-13-17(16)23-18(24-19)15-5-3-2-4-6-15/h2-6,11-12,20H,7-10,13H2,1H3,(H,21,22)
InChIKeyOPUMRRVTQHDEEB-UHFFFAOYSA-N
XLogP2.19
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[methyl-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol
CID 56752919
4-ethyl-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742459
N,1-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
CID 56909967
4-chloro-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 115045658
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56878592
2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]quinoline-4-carboxylic acid
CID 50806130
4-[methyl(2-pyridin-2-ylethyl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171388865
N-[(2S)-1-methoxypropan-2-yl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 95727447
5-(4-methoxyphenyl)-3-[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]-1,2-oxazole-4-carboxylic acid
CID 163317140
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56866186
2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
CID 56752759
2-(4-methoxyphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742252

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 56753256) is N-methyl-2-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is CN(CCc1cn[nH]c1)c1nc(-c2ccccc2)nc2c1CCNC2.
What is the InChIKey of N-methyl-2-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is OPUMRRVTQHDEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-25(10-8-14-11-21-22-12-14)19-16-7-9-20-13-17(16)23-18(24-19)15-5-3-2-4-6-15/h2-6,11-12,20H,7-10,13H2,1H3,(H,21,22).
What are the key properties of N-methyl-2-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
N-methyl-2-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 334.43 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56753256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).