N-[2-(dimethylamino)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide

C14H24N6O — CID 109301230

IUPACN-[2-(dimethylamino)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCN(C)CCNC(=O)c1ccnc(N2CCN(C)CC2)n1
InChIInChI=1S/C14H24N6O/c1-18(2)7-6-15-13(21)12-4-5-16-14(17-12)20-10-8-19(3)9-11-20/h4-5H,6-11H2,1-3H3,(H,15,21)
InChIKeyHPIFQSLKVNVOOC-UHFFFAOYSA-N
MW292.39 g/mol
LogP-0.48
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide

N-[2-(dimethylamino)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109301230) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
PubChem CID109301230
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCN(C)CCNC(=O)c1ccnc(N2CCN(C)CC2)n1
InChIInChI=1S/C14H24N6O/c1-18(2)7-6-15-13(21)12-4-5-16-14(17-12)20-10-8-19(3)9-11-20/h4-5H,6-11H2,1-3H3,(H,15,21)
InChIKeyHPIFQSLKVNVOOC-UHFFFAOYSA-N
XLogP-0.48
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109301231
N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300337
N-[2-(dimethylamino)ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109298960
N-[3-(dimethylamino)propyl]-2-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109301855
N-[2-(2-fluorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302046
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302036
N,N-diethyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302072
2-(4-methylpiperazin-1-yl)-N-phenylpyrimidine-4-carboxamide
CID 109302090
N-(2-phenylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109307879
N-(2-methoxyethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109299826
N-[2-(dimethylamino)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203811
2-(4-methylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109302140

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide (CID 109301230) is N-[2-(dimethylamino)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide is CN(C)CCNC(=O)c1ccnc(N2CCN(C)CC2)n1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is HPIFQSLKVNVOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O/c1-18(2)7-6-15-13(21)12-4-5-16-14(17-12)20-10-8-19(3)9-11-20/h4-5H,6-11H2,1-3H3,(H,15,21).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 292.39 g/mol, XLogP of -0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109301230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).