N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine

C15H22N6 — CID 43728851

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
SMILESCc1n[nH]c(C)c1CNC1CCCN(c2ncccn2)C1
InChIInChI=1S/C15H22N6/c1-11-14(12(2)20-19-11)9-18-13-5-3-8-21(10-13)15-16-6-4-7-17-15/h4,6-7,13,18H,3,5,8-10H2,1-2H3,(H,19,20)
InChIKeySXRPJVKACLOPTI-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.58
Rot. Bonds4

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine (PubChem CID 43728851) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
PubChem CID43728851
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
SMILESCc1n[nH]c(C)c1CNC1CCCN(c2ncccn2)C1
InChIInChI=1S/C15H22N6/c1-11-14(12(2)20-19-11)9-18-13-5-3-8-21(10-13)15-16-6-4-7-17-15/h4,6-7,13,18H,3,5,8-10H2,1-2H3,(H,19,20)
InChIKeySXRPJVKACLOPTI-UHFFFAOYSA-N
XLogP1.58
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 64540778
N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 45191874
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 60937187
1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-3-amine
CID 55249277
N-(3-methoxy-2-methylpropyl)-1-pyrimidin-2-ylpiperidin-3-amine
CID 116501051
1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-3-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]urea
CID 126428306
(3R)-1-pyrimidin-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 52511209
(3R)-N-[(5-chlorofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 93318901
(3S)-N-[(4-ethynylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 42381958
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 103780736
N-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 45230292
N-[(2,5-dimethoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 47045757

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine (CID 43728851) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine is Cc1n[nH]c(C)c1CNC1CCCN(c2ncccn2)C1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
The InChIKey is SXRPJVKACLOPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-11-14(12(2)20-19-11)9-18-13-5-3-8-21(10-13)15-16-6-4-7-17-15/h4,6-7,13,18H,3,5,8-10H2,1-2H3,(H,19,20).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine has a molecular weight of 286.38 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine is sourced from PubChem (CID 43728851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).