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

C19H22N6O4S — CID 122346771

IUPACN-(4-methoxyphenyl)-6-methyl-2-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(C)nc(N3CCN(S(=O)(=O)c4cnoc4)CC3)n2)cc1
InChIInChI=1S/C19H22N6O4S/c1-14-11-18(22-15-3-5-16(28-2)6-4-15)23-19(21-14)24-7-9-25(10-8-24)30(26,27)17-12-20-29-13-17/h3-6,11-13H,7-10H2,1-2H3,(H,21,22,23)
InChIKeyLUHYSWIKCHMRIK-UHFFFAOYSA-N
MW430.49 g/mol
LogP2.04
Rot. Bonds6

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

N-(4-methoxyphenyl)-6-methyl-2-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 122346771) has the molecular formula C19H22N6O4S and a molecular weight of 430.49 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-6-methyl-2-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-6-methyl-2-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID122346771
Molecular FormulaC19H22N6O4S
Molecular Weight430.49 g/mol
Exact Mass430.14
IUPAC NameN-(4-methoxyphenyl)-6-methyl-2-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(C)nc(N3CCN(S(=O)(=O)c4cnoc4)CC3)n2)cc1
InChIInChI=1S/C19H22N6O4S/c1-14-11-18(22-15-3-5-16(28-2)6-4-15)23-19(21-14)24-7-9-25(10-8-24)30(26,27)17-12-20-29-13-17/h3-6,11-13H,7-10H2,1-2H3,(H,21,22,23)
InChIKeyLUHYSWIKCHMRIK-UHFFFAOYSA-N
XLogP2.04
TPSA113.69 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 27653130
2-[4-(3-methoxy-4-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 122549460
N-ethyl-6-methyl-2-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine
CID 122346293
2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 122346739
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(5-methyl-2-pyridinyl)pyrimidin-4-amine
CID 122632244
2-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 122346510
2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 122346548
4-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 122339651
6-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-2-ylpyrimidin-4-amine
CID 134410110
2-[4-[(2,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 122346744
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-phenylpyrimidin-4-amine
CID 44826804
4-[[6-methyl-2-[4-(4-propoxyphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-yl]amino]benzonitrile
CID 134410116

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-6-methyl-2-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-6-methyl-2-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine (CID 122346771) is N-(4-methoxyphenyl)-6-methyl-2-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-6-methyl-2-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-6-methyl-2-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine is COc1ccc(Nc2cc(C)nc(N3CCN(S(=O)(=O)c4cnoc4)CC3)n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-6-methyl-2-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is LUHYSWIKCHMRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O4S/c1-14-11-18(22-15-3-5-16(28-2)6-4-15)23-19(21-14)24-7-9-25(10-8-24)30(26,27)17-12-20-29-13-17/h3-6,11-13H,7-10H2,1-2H3,(H,21,22,23).
What are the key properties of N-(4-methoxyphenyl)-6-methyl-2-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine?
N-(4-methoxyphenyl)-6-methyl-2-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 430.49 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-6-methyl-2-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 122346771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).