6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(1-methylpiperidin-4-yl)-2-phenylpyrimidine-4,6-diamine

C22H27N7 — CID 70689610

IUPAC6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(1-methylpiperidin-4-yl)-2-phenylpyrimidine-4,6-diamine
SMILESCN1CCC(Nc2cc(Nc3cc(C4CC4)[nH]n3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H27N7/c1-29-11-9-17(10-12-29)23-19-14-20(24-21-13-18(27-28-21)15-7-8-15)26-22(25-19)16-5-3-2-4-6-16/h2-6,13-15,17H,7-12H2,1H3,(H3,23,24,25,26,27,28)
InChIKeyOSJXAIWPWZTJND-UHFFFAOYSA-N
MW389.51 g/mol
LogP3.99
Rot. Bonds6

About 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(1-methylpiperidin-4-yl)-2-phenylpyrimidine-4,6-diamine

6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(1-methylpiperidin-4-yl)-2-phenylpyrimidine-4,6-diamine (PubChem CID 70689610) has the molecular formula C22H27N7 and a molecular weight of 389.51 g/mol. Its IUPAC name is 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(1-methylpiperidin-4-yl)-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(1-methylpiperidin-4-yl)-2-phenylpyrimidine-4,6-diamine
PubChem CID70689610
Molecular FormulaC22H27N7
Molecular Weight389.51 g/mol
Exact Mass389.23
IUPAC Name6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(1-methylpiperidin-4-yl)-2-phenylpyrimidine-4,6-diamine
SMILESCN1CCC(Nc2cc(Nc3cc(C4CC4)[nH]n3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H27N7/c1-29-11-9-17(10-12-29)23-19-14-20(24-21-13-18(27-28-21)15-7-8-15)26-22(25-19)16-5-3-2-4-6-16/h2-6,13-15,17H,7-12H2,1H3,(H3,23,24,25,26,27,28)
InChIKeyOSJXAIWPWZTJND-UHFFFAOYSA-N
XLogP3.99
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.51
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(1-methylpiperidin-4-yl)-2-phenylpyrimidine-4,6-diamine with MolForge

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Related Compounds

Enmd-2076
CID 16041424
AZ-960
CID 25099184
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 6419766
3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
2-N-benzyl-5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 24949247
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 24949398
5-bromo-N4-(3-cyclopropyl-1H-pyrazol-5-yl)-N2-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 11212221
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine
CID 24949399
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1R)-1-phenylethyl]pyrimidine-2,4-diamine
CID 24949400
3-(6-{[(1s)-1-(4-Fluorophenyl)ethyl]amino}pyrimidin-4-Yl)pyrazolo[1,5-A]pyrimidin-2-Amine
CID 44159834
2-(4-((4-((5-Cyclopropyl-1H-pyrazol-3-yl)amino)-6-methylpyrimidin-2-yl)amino)phenyl)acetonitrile
CID 45111335
4-[3-(1-Methylethyl)-1h-Pyrazol-4-Yl]-N-(1-Methylpiperidin-4-Yl)pyrimidin-2-Amine
CID 49800099

Frequently Asked Questions

What is the IUPAC name of 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(1-methylpiperidin-4-yl)-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(1-methylpiperidin-4-yl)-2-phenylpyrimidine-4,6-diamine (CID 70689610) is 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(1-methylpiperidin-4-yl)-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(1-methylpiperidin-4-yl)-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(1-methylpiperidin-4-yl)-2-phenylpyrimidine-4,6-diamine is CN1CCC(Nc2cc(Nc3cc(C4CC4)[nH]n3)nc(-c3ccccc3)n2)CC1.
What is the InChIKey of 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(1-methylpiperidin-4-yl)-2-phenylpyrimidine-4,6-diamine?
The InChIKey is OSJXAIWPWZTJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7/c1-29-11-9-17(10-12-29)23-19-14-20(24-21-13-18(27-28-21)15-7-8-15)26-22(25-19)16-5-3-2-4-6-16/h2-6,13-15,17H,7-12H2,1H3,(H3,23,24,25,26,27,28).
What are the key properties of 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(1-methylpiperidin-4-yl)-2-phenylpyrimidine-4,6-diamine?
6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(1-methylpiperidin-4-yl)-2-phenylpyrimidine-4,6-diamine has a molecular weight of 389.51 g/mol, XLogP of 3.99, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(1-methylpiperidin-4-yl)-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 70689610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).