2-methylsulfonyl-N-propan-2-ylpyrimidine-5-carboxamide

C9H13N3O3S — CID 69347367

IUPAC2-methylsulfonyl-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)NC(=O)c1cnc(S(C)(=O)=O)nc1
InChIInChI=1S/C9H13N3O3S/c1-6(2)12-8(13)7-4-10-9(11-5-7)16(3,14)15/h4-6H,1-3H3,(H,12,13)
InChIKeyRBEXVRUJCMGXNP-UHFFFAOYSA-N
MW243.29 g/mol
LogP0.02
Rot. Bonds3

About 2-methylsulfonyl-N-propan-2-ylpyrimidine-5-carboxamide

2-methylsulfonyl-N-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 69347367) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-methylsulfonyl-N-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-propan-2-ylpyrimidine-5-carboxamide
PubChem CID69347367
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name2-methylsulfonyl-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)NC(=O)c1cnc(S(C)(=O)=O)nc1
InChIInChI=1S/C9H13N3O3S/c1-6(2)12-8(13)7-4-10-9(11-5-7)16(3,14)15/h4-6H,1-3H3,(H,12,13)
InChIKeyRBEXVRUJCMGXNP-UHFFFAOYSA-N
XLogP0.02
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-{2-[methyl(methylsulfonyl)amino]ethyl}-5-pyrimidinecarboxamide
CID 72918635
2-(ethylamino)-N-(tetrahydro-3-thienyl)-5-pyrimidinecarboxamide
CID 72932963
2-ethyl-N-[2-(isobutylsulfonyl)ethyl]-5-pyrimidinecarboxamide
CID 72879630
2-isopropyl-N-{2-[methyl(methylsulfonyl)amino]ethyl}pyrimidine-5-carboxamide
CID 74232485
N-(1,1-dioxido-2,3-dihydro-3-thienyl)-2-isopropylpyrimidine-5-carboxamide
CID 74233606
2-(methylthio)-N-(tetrahydrofuran-3-ylmethyl)pyrimidine-5-carboxamide
CID 91774487
N-(1-methylpyrrolidin-3-yl)-2-(methylthio)pyrimidine-5-carboxamide
CID 91779180
4-amino-2-methyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]pyrimidine-5-carboxamide
CID 138035664
4-Ethylamino-2-methylthio-5-pyrimidinecarboxylic acid fluoride
CID 89106574
4-amino-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
CID 142557253
4-amino-N-(3,3-difluoroprop-2-enyl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 170006202
4-Amino-N-cyclopropyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
CID 50743342

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 2-methylsulfonyl-N-propan-2-ylpyrimidine-5-carboxamide (CID 69347367) is 2-methylsulfonyl-N-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-methylsulfonyl-N-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 2-methylsulfonyl-N-propan-2-ylpyrimidine-5-carboxamide is CC(C)NC(=O)c1cnc(S(C)(=O)=O)nc1.
What is the InChIKey of 2-methylsulfonyl-N-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is RBEXVRUJCMGXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-6(2)12-8(13)7-4-10-9(11-5-7)16(3,14)15/h4-6H,1-3H3,(H,12,13).
What are the key properties of 2-methylsulfonyl-N-propan-2-ylpyrimidine-5-carboxamide?
2-methylsulfonyl-N-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 243.29 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 69347367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).