2-[(4-methoxycyclohexyl)amino]-4-methylsulfonylpyrimidine-5-carboxamide

C13H20N4O4S — CID 70982679

IUPAC2-[(4-methoxycyclohexyl)amino]-4-methylsulfonylpyrimidine-5-carboxamide
SMILESCOC1CCC(Nc2ncc(C(N)=O)c(S(C)(=O)=O)n2)CC1
InChIInChI=1S/C13H20N4O4S/c1-21-9-5-3-8(4-6-9)16-13-15-7-10(11(14)18)12(17-13)22(2,19)20/h7-9H,3-6H2,1-2H3,(H2,14,18)(H,15,16,17)
InChIKeyMBTMTUXOBFMDIU-UHFFFAOYSA-N
MW328.39 g/mol
LogP0.35
Rot. Bonds5

About 2-[(4-methoxycyclohexyl)amino]-4-methylsulfonylpyrimidine-5-carboxamide

2-[(4-methoxycyclohexyl)amino]-4-methylsulfonylpyrimidine-5-carboxamide (PubChem CID 70982679) has the molecular formula C13H20N4O4S and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-[(4-methoxycyclohexyl)amino]-4-methylsulfonylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(4-methoxycyclohexyl)amino]-4-methylsulfonylpyrimidine-5-carboxamide
PubChem CID70982679
Molecular FormulaC13H20N4O4S
Molecular Weight328.39 g/mol
Exact Mass328.12
IUPAC Name2-[(4-methoxycyclohexyl)amino]-4-methylsulfonylpyrimidine-5-carboxamide
SMILESCOC1CCC(Nc2ncc(C(N)=O)c(S(C)(=O)=O)n2)CC1
InChIInChI=1S/C13H20N4O4S/c1-21-9-5-3-8(4-6-9)16-13-15-7-10(11(14)18)12(17-13)22(2,19)20/h7-9H,3-6H2,1-2H3,(H2,14,18)(H,15,16,17)
InChIKeyMBTMTUXOBFMDIU-UHFFFAOYSA-N
XLogP0.35
TPSA124.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(4-aminocyclohexyl)amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 66576316
2-[(4-methoxycyclohexyl)amino]-4-[[(2S)-3-methylbutan-2-yl]amino]pyrimidine-5-carboxamide
CID 71237470
4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237054
4-[[(1R,3S,4S)-3-hydroxy-4-methylcyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237204
4-(2-cyclobutylpropyl)-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 161285594
4-[[(1R)-1-cyclobutylethyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237417
4-[[(1R)-3-hydroxy-3-methylcyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237118
4-[[(1R,3S)-3-hydroxy-3-methylcyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide;4-[[(1R,3R)-3-hydroxy-3-methylcyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 162254042
2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide
CID 71237540
4-[(4-ethoxycyclohexyl)amino]-2-(oxan-4-ylamino)pyrimidine-5-carboxamide
CID 71236629
ethyl 2-(cyclopropylamino)-4-ethylpyrimidine-5-carboxylate
CID 102972850
2-(cyclohexylamino)-4-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 71242271

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxycyclohexyl)amino]-4-methylsulfonylpyrimidine-5-carboxamide?
The IUPAC name of 2-[(4-methoxycyclohexyl)amino]-4-methylsulfonylpyrimidine-5-carboxamide (CID 70982679) is 2-[(4-methoxycyclohexyl)amino]-4-methylsulfonylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(4-methoxycyclohexyl)amino]-4-methylsulfonylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[(4-methoxycyclohexyl)amino]-4-methylsulfonylpyrimidine-5-carboxamide is COC1CCC(Nc2ncc(C(N)=O)c(S(C)(=O)=O)n2)CC1.
What is the InChIKey of 2-[(4-methoxycyclohexyl)amino]-4-methylsulfonylpyrimidine-5-carboxamide?
The InChIKey is MBTMTUXOBFMDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4S/c1-21-9-5-3-8(4-6-9)16-13-15-7-10(11(14)18)12(17-13)22(2,19)20/h7-9H,3-6H2,1-2H3,(H2,14,18)(H,15,16,17).
What are the key properties of 2-[(4-methoxycyclohexyl)amino]-4-methylsulfonylpyrimidine-5-carboxamide?
2-[(4-methoxycyclohexyl)amino]-4-methylsulfonylpyrimidine-5-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxycyclohexyl)amino]-4-methylsulfonylpyrimidine-5-carboxamide is sourced from PubChem (CID 70982679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).