2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyrimidine-4-carboxamide

C12H21N5O — CID 109295333

IUPAC2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)NC(=O)c1ccnc(NCCN(C)C)n1
InChIInChI=1S/C12H21N5O/c1-9(2)15-11(18)10-5-6-13-12(16-10)14-7-8-17(3)4/h5-6,9H,7-8H2,1-4H3,(H,15,18)(H,13,14,16)
InChIKeyGWLKKIYILFDSGS-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.59
Rot. Bonds6

About 2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyrimidine-4-carboxamide

2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 109295333) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyrimidine-4-carboxamide
PubChem CID109295333
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)NC(=O)c1ccnc(NCCN(C)C)n1
InChIInChI=1S/C12H21N5O/c1-9(2)15-11(18)10-5-6-13-12(16-10)14-7-8-17(3)4/h5-6,9H,7-8H2,1-4H3,(H,15,18)(H,13,14,16)
InChIKeyGWLKKIYILFDSGS-UHFFFAOYSA-N
XLogP0.59
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(dimethylamino)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109301059
N-cyclopropyl-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109295728
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
[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298408
2-[2-(2-fluorophenyl)ethylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109295360
N-(3-bromophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109301195
N-cyclopropyl-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109295730
2-(butan-2-ylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109297091
2-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109301137
N-[4-(diethylamino)-2-methylphenyl]-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109301218

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyrimidine-4-carboxamide (CID 109295333) is 2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyrimidine-4-carboxamide is CC(C)NC(=O)c1ccnc(NCCN(C)C)n1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is GWLKKIYILFDSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-9(2)15-11(18)10-5-6-13-12(16-10)14-7-8-17(3)4/h5-6,9H,7-8H2,1-4H3,(H,15,18)(H,13,14,16).
What are the key properties of 2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyrimidine-4-carboxamide?
2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109295333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).