6-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-4-amine

C19H22N6 — CID 56711059

IUPAC6-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESCc1cccc(-c2cn[nH]c2C2CCN(c3cc(N)ncn3)CC2)c1
InChIInChI=1S/C19H22N6/c1-13-3-2-4-15(9-13)16-11-23-24-19(16)14-5-7-25(8-6-14)18-10-17(20)21-12-22-18/h2-4,9-12,14H,5-8H2,1H3,(H,23,24)(H2,20,21,22)
InChIKeyXEAZYOOMASKDPF-UHFFFAOYSA-N
MW334.43 g/mol
LogP3.14
Rot. Bonds3

About 6-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-4-amine

6-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-4-amine (PubChem CID 56711059) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 6-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-4-amine
PubChem CID56711059
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name6-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESCc1cccc(-c2cn[nH]c2C2CCN(c3cc(N)ncn3)CC2)c1
InChIInChI=1S/C19H22N6/c1-13-3-2-4-15(9-13)16-11-23-24-19(16)14-5-7-25(8-6-14)18-10-17(20)21-12-22-18/h2-4,9-12,14H,5-8H2,1H3,(H,23,24)(H2,20,21,22)
InChIKeyXEAZYOOMASKDPF-UHFFFAOYSA-N
XLogP3.14
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 6-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-4-amine (CID 56711059) is 6-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 6-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-4-amine is Cc1cccc(-c2cn[nH]c2C2CCN(c3cc(N)ncn3)CC2)c1.
What is the InChIKey of 6-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is XEAZYOOMASKDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-13-3-2-4-15(9-13)16-11-23-24-19(16)14-5-7-25(8-6-14)18-10-17(20)21-12-22-18/h2-4,9-12,14H,5-8H2,1H3,(H,23,24)(H2,20,21,22).
What are the key properties of 6-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-4-amine?
6-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 334.43 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 56711059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).