N-butan-2-yl-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide

C13H23N5O — CID 109248829

IUPACN-butan-2-yl-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide
SMILESCCC(C)NC(=O)c1cnc(NCCN(C)C)nc1
InChIInChI=1S/C13H23N5O/c1-5-10(2)17-12(19)11-8-15-13(16-9-11)14-6-7-18(3)4/h8-10H,5-7H2,1-4H3,(H,17,19)(H,14,15,16)
InChIKeyGHCBZQVCVJTDAE-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.98
Rot. Bonds7

About N-butan-2-yl-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide

N-butan-2-yl-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide (PubChem CID 109248829) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N-butan-2-yl-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide
PubChem CID109248829
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN-butan-2-yl-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide
SMILESCCC(C)NC(=O)c1cnc(NCCN(C)C)nc1
InChIInChI=1S/C13H23N5O/c1-5-10(2)17-12(19)11-8-15-13(16-9-11)14-6-7-18(3)4/h8-10H,5-7H2,1-4H3,(H,17,19)(H,14,15,16)
InChIKeyGHCBZQVCVJTDAE-UHFFFAOYSA-N
XLogP0.98
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-2-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 109248625
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109252856
N-[2-(dimethylamino)ethyl]-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109251488
N-cyclopentyl-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide
CID 109249531
2-[2-(dimethylamino)ethylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109252945
N-butan-2-yl-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109248845
2-[3-(dimethylamino)propylamino]-N-propylpyrimidine-5-carboxamide
CID 109246483
2-[2-(dimethylamino)ethylamino]-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109252869
N-butan-2-yl-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109248917
5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844981
2-N,5-N-bis[(2S)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844984
N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109248819

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-butan-2-yl-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide (CID 109248829) is N-butan-2-yl-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-butan-2-yl-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide is CCC(C)NC(=O)c1cnc(NCCN(C)C)nc1.
What is the InChIKey of N-butan-2-yl-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide?
The InChIKey is GHCBZQVCVJTDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-5-10(2)17-12(19)11-8-15-13(16-9-11)14-6-7-18(3)4/h8-10H,5-7H2,1-4H3,(H,17,19)(H,14,15,16).
What are the key properties of N-butan-2-yl-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide?
N-butan-2-yl-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109248829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).