N-ethyl-6-methyl-2-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine

C14H20N6O3S — CID 122346293

IUPACN-ethyl-6-methyl-2-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCCNc1cc(C)nc(N2CCN(S(=O)(=O)c3cnoc3)CC2)n1
InChIInChI=1S/C14H20N6O3S/c1-3-15-13-8-11(2)17-14(18-13)19-4-6-20(7-5-19)24(21,22)12-9-16-23-10-12/h8-10H,3-7H2,1-2H3,(H,15,17,18)
InChIKeyKQCANZPBHUAOOE-UHFFFAOYSA-N
MW352.42 g/mol
LogP0.72
Rot. Bonds5

About N-ethyl-6-methyl-2-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine

N-ethyl-6-methyl-2-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 122346293) has the molecular formula C14H20N6O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-ethyl-6-methyl-2-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-methyl-2-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID122346293
Molecular FormulaC14H20N6O3S
Molecular Weight352.42 g/mol
Exact Mass352.13
IUPAC NameN-ethyl-6-methyl-2-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCCNc1cc(C)nc(N2CCN(S(=O)(=O)c3cnoc3)CC2)n1
InChIInChI=1S/C14H20N6O3S/c1-3-15-13-8-11(2)17-14(18-13)19-4-6-20(7-5-19)24(21,22)12-9-16-23-10-12/h8-10H,3-7H2,1-2H3,(H,15,17,18)
InChIKeyKQCANZPBHUAOOE-UHFFFAOYSA-N
XLogP0.72
TPSA104.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-ethyl-6-methyl-2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-amine
CID 39730276
N-(4-methoxyphenyl)-6-methyl-2-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine
CID 122346771
4-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 122339651
N-ethyl-2-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 122346272
N-ethyl-6-methyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine
CID 122346257
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine
CID 18566578
N-ethyl-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 62190895
1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]propan-1-one
CID 18566443
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-1,2-oxazole-4-sulfonamide
CID 122324772
2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine
CID 165433324
(3,5-dimethylphenyl)-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 18566483
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 27653130

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-2-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-methyl-2-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine (CID 122346293) is N-ethyl-6-methyl-2-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-methyl-2-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-methyl-2-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine is CCNc1cc(C)nc(N2CCN(S(=O)(=O)c3cnoc3)CC2)n1.
What is the InChIKey of N-ethyl-6-methyl-2-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is KQCANZPBHUAOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O3S/c1-3-15-13-8-11(2)17-14(18-13)19-4-6-20(7-5-19)24(21,22)12-9-16-23-10-12/h8-10H,3-7H2,1-2H3,(H,15,17,18).
What are the key properties of N-ethyl-6-methyl-2-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine?
N-ethyl-6-methyl-2-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 352.42 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-2-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 122346293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).