4-(5-methyl-1H-pyrazol-4-yl)-N-(1-phenylpiperidin-4-yl)pyrimidin-2-amine

C19H22N6 — CID 59564767

IUPAC4-(5-methyl-1H-pyrazol-4-yl)-N-(1-phenylpiperidin-4-yl)pyrimidin-2-amine
SMILESCc1[nH]ncc1-c1ccnc(NC2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C19H22N6/c1-14-17(13-21-24-14)18-7-10-20-19(23-18)22-15-8-11-25(12-9-15)16-5-3-2-4-6-16/h2-7,10,13,15H,8-9,11-12H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyIISASVFZUNKYAN-UHFFFAOYSA-N
MW334.43 g/mol
LogP3.26
Rot. Bonds4

About 4-(5-methyl-1H-pyrazol-4-yl)-N-(1-phenylpiperidin-4-yl)pyrimidin-2-amine

4-(5-methyl-1H-pyrazol-4-yl)-N-(1-phenylpiperidin-4-yl)pyrimidin-2-amine (PubChem CID 59564767) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 4-(5-methyl-1H-pyrazol-4-yl)-N-(1-phenylpiperidin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-methyl-1H-pyrazol-4-yl)-N-(1-phenylpiperidin-4-yl)pyrimidin-2-amine
PubChem CID59564767
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name4-(5-methyl-1H-pyrazol-4-yl)-N-(1-phenylpiperidin-4-yl)pyrimidin-2-amine
SMILESCc1[nH]ncc1-c1ccnc(NC2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C19H22N6/c1-14-17(13-21-24-14)18-7-10-20-19(23-18)22-15-8-11-25(12-9-15)16-5-3-2-4-6-16/h2-7,10,13,15H,8-9,11-12H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyIISASVFZUNKYAN-UHFFFAOYSA-N
XLogP3.26
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1H-pyrazol-4-yl)-N-(1-phenylpiperidin-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-(5-methyl-1H-pyrazol-4-yl)-N-(1-phenylpiperidin-4-yl)pyrimidin-2-amine (CID 59564767) is 4-(5-methyl-1H-pyrazol-4-yl)-N-(1-phenylpiperidin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(5-methyl-1H-pyrazol-4-yl)-N-(1-phenylpiperidin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(5-methyl-1H-pyrazol-4-yl)-N-(1-phenylpiperidin-4-yl)pyrimidin-2-amine is Cc1[nH]ncc1-c1ccnc(NC2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of 4-(5-methyl-1H-pyrazol-4-yl)-N-(1-phenylpiperidin-4-yl)pyrimidin-2-amine?
The InChIKey is IISASVFZUNKYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-14-17(13-21-24-14)18-7-10-20-19(23-18)22-15-8-11-25(12-9-15)16-5-3-2-4-6-16/h2-7,10,13,15H,8-9,11-12H2,1H3,(H,21,24)(H,20,22,23).
What are the key properties of 4-(5-methyl-1H-pyrazol-4-yl)-N-(1-phenylpiperidin-4-yl)pyrimidin-2-amine?
4-(5-methyl-1H-pyrazol-4-yl)-N-(1-phenylpiperidin-4-yl)pyrimidin-2-amine has a molecular weight of 334.43 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1H-pyrazol-4-yl)-N-(1-phenylpiperidin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 59564767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).