4-N-[[4-(1,5-dihydropyrazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)pyrimidine-4,5-diamine

C23H26N6 — CID 165406207

IUPAC4-N-[[4-(1,5-dihydropyrazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)pyrimidine-4,5-diamine
SMILESCC(C)c1ccccc1-c1ncc(N)c(NCc2ccc(N3C=CCN3)cc2)n1
InChIInChI=1S/C23H26N6/c1-16(2)19-6-3-4-7-20(19)22-26-15-21(24)23(28-22)25-14-17-8-10-18(11-9-17)29-13-5-12-27-29/h3-11,13,15-16,27H,12,14,24H2,1-2H3,(H,25,26,28)
InChIKeyJPRPNMPMQUOOII-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.30
Rot. Bonds6

About 4-N-[[4-(1,5-dihydropyrazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)pyrimidine-4,5-diamine

4-N-[[4-(1,5-dihydropyrazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)pyrimidine-4,5-diamine (PubChem CID 165406207) has the molecular formula C23H26N6 and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-N-[[4-(1,5-dihydropyrazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[[4-(1,5-dihydropyrazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)pyrimidine-4,5-diamine
PubChem CID165406207
Molecular FormulaC23H26N6
Molecular Weight386.50 g/mol
Exact Mass386.22
IUPAC Name4-N-[[4-(1,5-dihydropyrazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)pyrimidine-4,5-diamine
SMILESCC(C)c1ccccc1-c1ncc(N)c(NCc2ccc(N3C=CCN3)cc2)n1
InChIInChI=1S/C23H26N6/c1-16(2)19-6-3-4-7-20(19)22-26-15-21(24)23(28-22)25-14-17-8-10-18(11-9-17)29-13-5-12-27-29/h3-11,13,15-16,27H,12,14,24H2,1-2H3,(H,25,26,28)
InChIKeyJPRPNMPMQUOOII-UHFFFAOYSA-N
XLogP4.30
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-N-[[4-(1,5-dihydropyrazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)pyrimidine-4,5-diamine with MolForge

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Related Compounds

ethane;N-[2-(2-propan-2-ylphenyl)-4-[(4-pyrazol-1-ylphenyl)methylamino]pyrimidin-5-yl]oxetane-3-carboxamide
CID 165406221
5-methyl-2-[2-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-N-[[4-(triazol-1-yl)phenyl]methyl]pyrimidin-4-amine
CID 118544225
2-(2-propan-2-ylphenyl)-4-[(6-pyridin-2-yl-3-pyridinyl)methylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol
CID 177024531
ethyl 4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]-2-(2-propan-2-ylphenyl)pyrimidine-5-carboxylate
CID 165406197
N-benzyl-2-chloro-5-propan-2-ylpyrimidin-4-amine
CID 118141132
9-[[4-(ethylamino)phenyl]methyl]-2-(2-propan-2-ylphenyl)-7H-purin-8-one
CID 145315505
2-(2-propan-2-ylphenyl)-9-[(4-pyrazol-1-ylphenyl)methyl]-7H-purin-8-one
CID 129140147
9-[(4-hydroxyphenyl)methyl]-2-(2-propan-2-ylphenyl)-7H-purin-8-one
CID 129139641
N-methyl-4-[1-[4-[[8-oxo-2-(2-propan-2-ylphenyl)-7H-purin-9-yl]methyl]phenyl]pyrazol-3-yl]piperidine-1-carboxamide
CID 129140081
9-[[4-(3-piperazin-1-ylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-7H-purin-8-one
CID 129139988
9-[[4-(4-amino-1-methylimidazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-7H-purin-8-one
CID 129139597
9-[[4-(ethylamino)phenyl]methyl]-2-(2-propan-2-ylphenyl)-7H-purin-8-one;methanimine;molecular hydrogen
CID 145315504

Frequently Asked Questions

What is the IUPAC name of 4-N-[[4-(1,5-dihydropyrazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-[[4-(1,5-dihydropyrazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)pyrimidine-4,5-diamine (CID 165406207) is 4-N-[[4-(1,5-dihydropyrazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[[4-(1,5-dihydropyrazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[[4-(1,5-dihydropyrazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)pyrimidine-4,5-diamine is CC(C)c1ccccc1-c1ncc(N)c(NCc2ccc(N3C=CCN3)cc2)n1.
What is the InChIKey of 4-N-[[4-(1,5-dihydropyrazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)pyrimidine-4,5-diamine?
The InChIKey is JPRPNMPMQUOOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6/c1-16(2)19-6-3-4-7-20(19)22-26-15-21(24)23(28-22)25-14-17-8-10-18(11-9-17)29-13-5-12-27-29/h3-11,13,15-16,27H,12,14,24H2,1-2H3,(H,25,26,28).
What are the key properties of 4-N-[[4-(1,5-dihydropyrazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)pyrimidine-4,5-diamine?
4-N-[[4-(1,5-dihydropyrazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)pyrimidine-4,5-diamine has a molecular weight of 386.50 g/mol, XLogP of 4.30, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[4-(1,5-dihydropyrazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 165406207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).