N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-propan-2-ylpyrimidine-5-carboxamide

C12H20N4O3S — CID 74232485

IUPACN-[2-[methyl(methylsulfonyl)amino]ethyl]-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)c1ncc(C(=O)NCCN(C)S(C)(=O)=O)cn1
InChIInChI=1S/C12H20N4O3S/c1-9(2)11-14-7-10(8-15-11)12(17)13-5-6-16(3)20(4,18)19/h7-9H,5-6H2,1-4H3,(H,13,17)
InChIKeyCUGWQYRJZKQHFG-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.22
Rot. Bonds6

About N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-propan-2-ylpyrimidine-5-carboxamide

N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 74232485) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-[methyl(methylsulfonyl)amino]ethyl]-2-propan-2-ylpyrimidine-5-carboxamide
PubChem CID74232485
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC NameN-[2-[methyl(methylsulfonyl)amino]ethyl]-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)c1ncc(C(=O)NCCN(C)S(C)(=O)=O)cn1
InChIInChI=1S/C12H20N4O3S/c1-9(2)11-14-7-10(8-15-11)12(17)13-5-6-16(3)20(4,18)19/h7-9H,5-6H2,1-4H3,(H,13,17)
InChIKeyCUGWQYRJZKQHFG-UHFFFAOYSA-N
XLogP0.22
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Aminoethylamino)-4-(methylamino)pyrimidine-5-carboxamide
CID 70981182
2-ethyl-N-[2-(2-oxo-1-imidazolidinyl)ethyl]-5-pyrimidinecarboxamide
CID 72876341
2-ethyl-N-{2-[methyl(methylsulfonyl)amino]ethyl}-5-pyrimidinecarboxamide
CID 72918635
6-[2-(ethylamino)pyrimidine-5-carbonyl]-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 136264143
N-((3S*,4R*)-1-{[2-(ethylamino)-5-pyrimidinyl]carbonyl}-4-isopropyl-3-pyrrolidinyl)methanesulfonamide
CID 70751118
2-ethyl-N-[2-(isobutylsulfonyl)ethyl]-5-pyrimidinecarboxamide
CID 72879630
2-Ethyl-5-{[4-(methylsulfonyl)piperazin-1-yl]carbonyl}pyrimidine
CID 74233443
N-(1,1-dioxido-2,3-dihydro-3-thienyl)-2-isopropylpyrimidine-5-carboxamide
CID 74233606
4-[(2-Isopropylpyrimidin-5-yl)carbonyl]thiomorpholine 1,1-dioxide
CID 74246919
N-[2-(butylamino)-2-oxoethyl]-2-(ethylamino)-N-methylpyrimidine-5-carboxamide
CID 74248529
N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 97939257
4-amino-2-methyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]pyrimidine-5-carboxamide
CID 138035664

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-propan-2-ylpyrimidine-5-carboxamide (CID 74232485) is N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-propan-2-ylpyrimidine-5-carboxamide is CC(C)c1ncc(C(=O)NCCN(C)S(C)(=O)=O)cn1.
What is the InChIKey of N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is CUGWQYRJZKQHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-9(2)11-14-7-10(8-15-11)12(17)13-5-6-16(3)20(4,18)19/h7-9H,5-6H2,1-4H3,(H,13,17).
What are the key properties of N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-propan-2-ylpyrimidine-5-carboxamide?
N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 74232485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).