5-chloro-6-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyrimidin-4-amine

C12H16ClN7O — CID 129482195

IUPAC5-chloro-6-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyrimidin-4-amine
SMILESCc1noc([C@@H]2CN(c3ncnc(N)c3Cl)CCN2C)n1
InChIInChI=1S/C12H16ClN7O/c1-7-17-12(21-18-7)8-5-20(4-3-19(8)2)11-9(13)10(14)15-6-16-11/h6,8H,3-5H2,1-2H3,(H2,14,15,16)/t8-/m0/s1
InChIKeyBOUDXANEPHAJEL-QMMMGPOBSA-N
MW309.76 g/mol
LogP0.90
Rot. Bonds2

About 5-chloro-6-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyrimidin-4-amine

5-chloro-6-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 129482195) has the molecular formula C12H16ClN7O and a molecular weight of 309.76 g/mol. Its IUPAC name is 5-chloro-6-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID129482195
Molecular FormulaC12H16ClN7O
Molecular Weight309.76 g/mol
Exact Mass309.11
IUPAC Name5-chloro-6-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyrimidin-4-amine
SMILESCc1noc([C@@H]2CN(c3ncnc(N)c3Cl)CCN2C)n1
InChIInChI=1S/C12H16ClN7O/c1-7-17-12(21-18-7)8-5-20(4-3-19(8)2)11-9(13)10(14)15-6-16-11/h6,8H,3-5H2,1-2H3,(H2,14,15,16)/t8-/m0/s1
InChIKeyBOUDXANEPHAJEL-QMMMGPOBSA-N
XLogP0.90
TPSA97.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(2S)-4-(3,5-dichloro-2-pyridinyl)-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129491457
5-[(2S)-4-(3,6-dimethylpyrazin-2-yl)-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129482979
3-methyl-5-(1-methyl-4-pyrazin-2-ylpiperazin-2-yl)-1,2,4-oxadiazole
CID 136541538
5-[(2S)-4-(6-methoxy-2,5-dimethylpyrimidin-4-yl)-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129483087
5-chloro-6-(2-ethylmorpholin-4-yl)pyrimidin-4-amine
CID 106811779
3,5-difluoro-4-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]benzonitrile
CID 128977795
5-chloro-6-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-amine
CID 106812346
5,6-diethyl-3-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 129482170
5-chloro-6-(2-methylthiomorpholin-4-yl)pyrimidin-4-amine
CID 106812004
(3S,5R)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-amine
CID 163148156
1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-amine
CID 75111395
6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidin-4-amine
CID 80834116

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-6-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyrimidin-4-amine (CID 129482195) is 5-chloro-6-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyrimidin-4-amine is Cc1noc([C@@H]2CN(c3ncnc(N)c3Cl)CCN2C)n1.
What is the InChIKey of 5-chloro-6-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is BOUDXANEPHAJEL-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16ClN7O/c1-7-17-12(21-18-7)8-5-20(4-3-19(8)2)11-9(13)10(14)15-6-16-11/h6,8H,3-5H2,1-2H3,(H2,14,15,16)/t8-/m0/s1.
What are the key properties of 5-chloro-6-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyrimidin-4-amine?
5-chloro-6-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 309.76 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 129482195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).