N-cyclopropyl-6-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide

C14H21N5O — CID 109339234

IUPACN-cyclopropyl-6-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCCN1CCN(c2cc(C(=O)NC3CC3)ncn2)CC1
InChIInChI=1S/C14H21N5O/c1-2-18-5-7-19(8-6-18)13-9-12(15-10-16-13)14(20)17-11-3-4-11/h9-11H,2-8H2,1H3,(H,17,20)
InChIKeyJTDPHVDBLCMEOF-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.51
Rot. Bonds4

About N-cyclopropyl-6-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide

N-cyclopropyl-6-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109339234) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-cyclopropyl-6-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
PubChem CID109339234
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-cyclopropyl-6-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCCN1CCN(c2cc(C(=O)NC3CC3)ncn2)CC1
InChIInChI=1S/C14H21N5O/c1-2-18-5-7-19(8-6-18)13-9-12(15-10-16-13)14(20)17-11-3-4-11/h9-11H,2-8H2,1H3,(H,17,20)
InChIKeyJTDPHVDBLCMEOF-UHFFFAOYSA-N
XLogP0.51
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 23652749
6-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109345399
6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109345258
6-(4-ethylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109345270
N-cyclopentyl-6-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109341455
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentylpyrimidine-4-carboxamide
CID 109341438
N-cyclohexyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109342025
6-(4-ethylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109345359
6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109345330
N-(1,1-dioxothiolan-3-yl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 91628610
N-cyclopropyl-6-methylpyrimidine-4-carboxamide
CID 110848002
N-butan-2-yl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109340765

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-6-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide (CID 109339234) is N-cyclopropyl-6-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-6-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide is CCN1CCN(c2cc(C(=O)NC3CC3)ncn2)CC1.
What is the InChIKey of N-cyclopropyl-6-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is JTDPHVDBLCMEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-2-18-5-7-19(8-6-18)13-9-12(15-10-16-13)14(20)17-11-3-4-11/h9-11H,2-8H2,1H3,(H,17,20).
What are the key properties of N-cyclopropyl-6-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide?
N-cyclopropyl-6-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 275.36 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109339234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).