N-cyclopropyl-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide

C12H19N5O — CID 109295728

IUPACN-cyclopropyl-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
SMILESCN(C)CCNc1nccc(C(=O)NC2CC2)n1
InChIInChI=1S/C12H19N5O/c1-17(2)8-7-14-12-13-6-5-10(16-12)11(18)15-9-3-4-9/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,18)(H,13,14,16)
InChIKeyDJEGFRKDVUBOGY-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.34
Rot. Bonds6

About N-cyclopropyl-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide

N-cyclopropyl-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide (PubChem CID 109295728) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
PubChem CID109295728
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-cyclopropyl-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
SMILESCN(C)CCNc1nccc(C(=O)NC2CC2)n1
InChIInChI=1S/C12H19N5O/c1-17(2)8-7-14-12-13-6-5-10(16-12)11(18)15-9-3-4-9/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,18)(H,13,14,16)
InChIKeyDJEGFRKDVUBOGY-UHFFFAOYSA-N
XLogP0.34
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109295730
N-cyclopropyl-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109295724
N-cyclopentyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109294728
2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109295333
N-cycloheptyl-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299667
N-cyclopropyl-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
CID 109295787
N-[2-(dimethylamino)ethyl]-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299605
N-(2-chlorophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109301147
N-(2,6-diethylphenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109301141
N-cyclopropyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109295735
[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298408
2-[2-(dimethylamino)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109301059

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide (CID 109295728) is N-cyclopropyl-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide is CN(C)CCNc1nccc(C(=O)NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide?
The InChIKey is DJEGFRKDVUBOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-17(2)8-7-14-12-13-6-5-10(16-12)11(18)15-9-3-4-9/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,18)(H,13,14,16).
What are the key properties of N-cyclopropyl-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide?
N-cyclopropyl-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide has a molecular weight of 249.32 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109295728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).