N-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide

C18H23N5O — CID 60551137

IUPACN-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCN(c3ncccn3)CC2)c(C)c1
InChIInChI=1S/C18H23N5O/c1-14-4-5-16(15(2)12-14)13-21-18(24)23-10-8-22(9-11-23)17-19-6-3-7-20-17/h3-7,12H,8-11,13H2,1-2H3,(H,21,24)
InChIKeyHBZRWFRBVKKNAF-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.13
Rot. Bonds3

About N-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide

N-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide (PubChem CID 60551137) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
PubChem CID60551137
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCN(c3ncccn3)CC2)c(C)c1
InChIInChI=1S/C18H23N5O/c1-14-4-5-16(15(2)12-14)13-21-18(24)23-10-8-22(9-11-23)17-19-6-3-7-20-17/h3-7,12H,8-11,13H2,1-2H3,(H,21,24)
InChIKeyHBZRWFRBVKKNAF-UHFFFAOYSA-N
XLogP2.13
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,4-dimethylphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 48637282
N-[(2-methylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108897251
N-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122571703
4-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106748
N-[(4-methoxy-3-methylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 71934378
(2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2110630
N-[3-(4-methylphenyl)-3-oxopropyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108874684
N-[(4-methoxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 27516864
N-[(2-chlorophenyl)methyl]-4-(2,4-dimethylphenyl)piperazine-1-carboxamide
CID 113107799
N-[2-(2,4-dimethylphenyl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 48637215
4-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108721
N-[2-(2,6-dimethylphenoxy)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 112973312

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide (CID 60551137) is N-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide is Cc1ccc(CNC(=O)N2CCN(c3ncccn3)CC2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The InChIKey is HBZRWFRBVKKNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-14-4-5-16(15(2)12-14)13-21-18(24)23-10-8-22(9-11-23)17-19-6-3-7-20-17/h3-7,12H,8-11,13H2,1-2H3,(H,21,24).
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
N-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 60551137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).