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

C23H29N7 — CID 70695928

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylpyrimidine-4,6-diamine
SMILESCN1CCC(CNc2cc(Nc3cc(C4CC4)[nH]n3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C23H29N7/c1-30-11-9-16(10-12-30)15-24-20-14-21(25-22-13-19(28-29-22)17-7-8-17)27-23(26-20)18-5-3-2-4-6-18/h2-6,13-14,16-17H,7-12,15H2,1H3,(H3,24,25,26,27,28,29)
InChIKeyFCNWQYLAHXYKOI-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.24
Rot. Bonds7

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

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylpyrimidine-4,6-diamine (PubChem CID 70695928) has the molecular formula C23H29N7 and a molecular weight of 403.53 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylpyrimidine-4,6-diamine
PubChem CID70695928
Molecular FormulaC23H29N7
Molecular Weight403.53 g/mol
Exact Mass403.25
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylpyrimidine-4,6-diamine
SMILESCN1CCC(CNc2cc(Nc3cc(C4CC4)[nH]n3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C23H29N7/c1-30-11-9-16(10-12-30)15-24-20-14-21(25-22-13-19(28-29-22)17-7-8-17)27-23(26-20)18-5-3-2-4-6-18/h2-6,13-14,16-17H,7-12,15H2,1H3,(H3,24,25,26,27,28,29)
InChIKeyFCNWQYLAHXYKOI-UHFFFAOYSA-N
XLogP4.24
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylpyrimidine-4,6-diamine (CID 70695928) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylpyrimidine-4,6-diamine is CN1CCC(CNc2cc(Nc3cc(C4CC4)[nH]n3)nc(-c3ccccc3)n2)CC1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylpyrimidine-4,6-diamine?
The InChIKey is FCNWQYLAHXYKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7/c1-30-11-9-16(10-12-30)15-24-20-14-21(25-22-13-19(28-29-22)17-7-8-17)27-23(26-20)18-5-3-2-4-6-18/h2-6,13-14,16-17H,7-12,15H2,1H3,(H3,24,25,26,27,28,29).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylpyrimidine-4,6-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylpyrimidine-4,6-diamine has a molecular weight of 403.53 g/mol, XLogP of 4.24, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 70695928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).