N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine

C21H26N6 — CID 45191874

IUPACN-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
SMILESCc1cc(C)c(CNC2CCCN(c3ncccn3)C2)c(-n2cccn2)c1
InChIInChI=1S/C21H26N6/c1-16-12-17(2)19(20(13-16)27-11-5-9-25-27)14-24-18-6-3-10-26(15-18)21-22-7-4-8-23-21/h4-5,7-9,11-13,18,24H,3,6,10,14-15H2,1-2H3
InChIKeyDNHDPAJHMCTMAN-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.04
Rot. Bonds5

About N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine

N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine (PubChem CID 45191874) has the molecular formula C21H26N6 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
PubChem CID45191874
Molecular FormulaC21H26N6
Molecular Weight362.48 g/mol
Exact Mass362.22
IUPAC NameN-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
SMILESCc1cc(C)c(CNC2CCCN(c3ncccn3)C2)c(-n2cccn2)c1
InChIInChI=1S/C21H26N6/c1-16-12-17(2)19(20(13-16)27-11-5-9-25-27)14-24-18-6-3-10-26(15-18)21-22-7-4-8-23-21/h4-5,7-9,11-13,18,24H,3,6,10,14-15H2,1-2H3
InChIKeyDNHDPAJHMCTMAN-UHFFFAOYSA-N
XLogP3.04
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
The IUPAC name of N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine (CID 45191874) is N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine.
What is the SMILES notation for N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
The canonical SMILES for N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine is Cc1cc(C)c(CNC2CCCN(c3ncccn3)C2)c(-n2cccn2)c1.
What is the InChIKey of N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
The InChIKey is DNHDPAJHMCTMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6/c1-16-12-17(2)19(20(13-16)27-11-5-9-25-27)14-24-18-6-3-10-26(15-18)21-22-7-4-8-23-21/h4-5,7-9,11-13,18,24H,3,6,10,14-15H2,1-2H3.
What are the key properties of N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine has a molecular weight of 362.48 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine is sourced from PubChem (CID 45191874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).