N,N-diethyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide

C14H23N5O — CID 109302072

IUPACN,N-diethyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1ccnc(N2CCN(C)CC2)n1
InChIInChI=1S/C14H23N5O/c1-4-18(5-2)13(20)12-6-7-15-14(16-12)19-10-8-17(3)9-11-19/h6-7H,4-5,8-11H2,1-3H3
InChIKeyNRHBEARTIMSTEZ-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.71
Rot. Bonds4

About N,N-diethyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide

N,N-diethyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109302072) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N,N-diethyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
PubChem CID109302072
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN,N-diethyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1ccnc(N2CCN(C)CC2)n1
InChIInChI=1S/C14H23N5O/c1-4-18(5-2)13(20)12-6-7-15-14(16-12)19-10-8-17(3)9-11-19/h6-7H,4-5,8-11H2,1-3H3
InChIKeyNRHBEARTIMSTEZ-UHFFFAOYSA-N
XLogP0.71
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidine-4-carboxamide
CID 109309414
N-[2-(dimethylamino)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109301230
N,N-diethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109098942
1-[4-[2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109302025
ethyl 4-[4-(4-methylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 109302237
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N,N-dipropylpyrimidine-4-carboxamide
CID 109309927
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302036
2-(4-methylpiperazin-1-yl)-N-phenylpyrimidine-4-carboxamide
CID 109302090
1-(2-pyrrolidin-1-ylpyrimidin-4-yl)propan-1-one
CID 174680127
N-[2-(2-fluorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302046
[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302241
2-N,2-N-diethyl-4-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,4-dicarboxamide
CID 109088980

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N,N-diethyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide (CID 109302072) is N,N-diethyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N,N-diethyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide is CCN(CC)C(=O)c1ccnc(N2CCN(C)CC2)n1.
What is the InChIKey of N,N-diethyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is NRHBEARTIMSTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-4-18(5-2)13(20)12-6-7-15-14(16-12)19-10-8-17(3)9-11-19/h6-7H,4-5,8-11H2,1-3H3.
What are the key properties of N,N-diethyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
N,N-diethyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109302072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).