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

C20H22N6 — CID 56743018

IUPAC2-phenyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESc1ccc(-c2nc3c(c(NCc4n[nH]c5c4CCC5)n2)CCNC3)cc1
InChIInChI=1S/C20H22N6/c1-2-5-13(6-3-1)19-23-17-11-21-10-9-15(17)20(24-19)22-12-18-14-7-4-8-16(14)25-26-18/h1-3,5-6,21H,4,7-12H2,(H,25,26)(H,22,23,24)
InChIKeyFGHTTXJYOLAHOG-UHFFFAOYSA-N
MW346.44 g/mol
LogP2.61
Rot. Bonds4

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

2-phenyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 56743018) has the molecular formula C20H22N6 and a molecular weight of 346.44 g/mol. Its IUPAC name is 2-phenyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-phenyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID56743018
Molecular FormulaC20H22N6
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC Name2-phenyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESc1ccc(-c2nc3c(c(NCc4n[nH]c5c4CCC5)n2)CCNC3)cc1
InChIInChI=1S/C20H22N6/c1-2-5-13(6-3-1)19-23-17-11-21-10-9-15(17)20(24-19)22-12-18-14-7-4-8-16(14)25-26-18/h1-3,5-6,21H,4,7-12H2,(H,25,26)(H,22,23,24)
InChIKeyFGHTTXJYOLAHOG-UHFFFAOYSA-N
XLogP2.61
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-phenyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

Enmd-2076
CID 16041424
N-(3-tert-butyl-1H-pyrazol-5-yl)-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine
CID 135397887
4-Pyrimidinamine, 6-(4-methyl-1-piperazinyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(1Z)-2-phenylethenyl]-
CID 49831008
Aminopyrimidine (Scaffold I)
CID 16223204
N6-(5-cyclopropyl-1H-pyrazol-3-yl)-N4-(2-dimethylaminoethyl)-2-phenyl-pyrimidine-4,6-diamine
CID 70685405
N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenyl-pyrimidin-4-amine
CID 70687548
N6-(5-cyclopropyl-1H-pyrazol-3-yl)-N4-(1-methyl-4-piperidyl)-2-phenyl-pyrimidine-4,6-diamine
CID 70689610
N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-phenyl-pyrimidin-4-amine
CID 70695927
N6-(5-cyclopropyl-1H-pyrazol-3-yl)-N4-[(1-methyl-4-piperidyl)methyl]-2-phenyl-pyrimidine-4,6-diamine
CID 70695928
2-N-benzyl-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
CID 118731845
6-benzyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 168274050
2-(4-methylpiperidin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 117929557

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-phenyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 56743018) is 2-phenyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-phenyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-phenyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is c1ccc(-c2nc3c(c(NCc4n[nH]c5c4CCC5)n2)CCNC3)cc1.
What is the InChIKey of 2-phenyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is FGHTTXJYOLAHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6/c1-2-5-13(6-3-1)19-23-17-11-21-10-9-15(17)20(24-19)22-12-18-14-7-4-8-16(14)25-26-18/h1-3,5-6,21H,4,7-12H2,(H,25,26)(H,22,23,24).
What are the key properties of 2-phenyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
2-phenyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 346.44 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56743018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).