5-chloro-N-(1-cyclopropylsulfinyl-3-methylpyrazol-4-yl)-4-methoxypyrimidin-2-amine

C12H14ClN5O2S — CID 126530457

IUPAC5-chloro-N-(1-cyclopropylsulfinyl-3-methylpyrazol-4-yl)-4-methoxypyrimidin-2-amine
SMILESCOc1nc(Nc2cn(S(=O)C3CC3)nc2C)ncc1Cl
InChIInChI=1S/C12H14ClN5O2S/c1-7-10(6-18(17-7)21(19)8-3-4-8)15-12-14-5-9(13)11(16-12)20-2/h5-6,8H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyJXODHROHEYDJJO-UHFFFAOYSA-N
MW327.80 g/mol
LogP2.06
Rot. Bonds5

About 5-chloro-N-(1-cyclopropylsulfinyl-3-methylpyrazol-4-yl)-4-methoxypyrimidin-2-amine

5-chloro-N-(1-cyclopropylsulfinyl-3-methylpyrazol-4-yl)-4-methoxypyrimidin-2-amine (PubChem CID 126530457) has the molecular formula C12H14ClN5O2S and a molecular weight of 327.80 g/mol. Its IUPAC name is 5-chloro-N-(1-cyclopropylsulfinyl-3-methylpyrazol-4-yl)-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(1-cyclopropylsulfinyl-3-methylpyrazol-4-yl)-4-methoxypyrimidin-2-amine
PubChem CID126530457
Molecular FormulaC12H14ClN5O2S
Molecular Weight327.80 g/mol
Exact Mass327.06
IUPAC Name5-chloro-N-(1-cyclopropylsulfinyl-3-methylpyrazol-4-yl)-4-methoxypyrimidin-2-amine
SMILESCOc1nc(Nc2cn(S(=O)C3CC3)nc2C)ncc1Cl
InChIInChI=1S/C12H14ClN5O2S/c1-7-10(6-18(17-7)21(19)8-3-4-8)15-12-14-5-9(13)11(16-12)20-2/h5-6,8H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyJXODHROHEYDJJO-UHFFFAOYSA-N
XLogP2.06
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.80
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(4-aminophenyl)-3-methylpyrazol-4-yl]-5-chloro-4-methoxypyrimidin-2-amine
CID 69281716
5-chloro-4-methoxy-N-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine
CID 69084480
5-chloro-4-methoxy-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 69281706
2-[4-[[5-chloro-4-[(4-methoxycyclohexyl)methoxy]pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile
CID 165385697
(5-chloro-4-methoxypyrimidin-2-yl)hydrazine
CID 80911079
3-[4-[[5-chloro-4-[[(1R,3S)-3-(methylamino)cyclopentyl]methoxy]pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]cyclobutane-1-carbonitrile
CID 165385615
2-[4-[(5-chloro-4-methoxypyrimidin-2-yl)amino]-2,5-dimethoxyphenyl]morpholine-4-carbaldehyde
CID 130384840
5-chloro-N-(2-methoxy-5-methyl-4-pyridinyl)-4-methylpyrimidin-2-amine
CID 146516000
N-[1-(2-isocyanopropan-2-yl)-3-methylpyrazol-4-yl]-5-methoxy-4-[[4-(methylamino)cyclohexyl]methoxy]pyrimidin-2-amine
CID 165385838
5-chloro-7-methyl-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 163700363
5-bromo-N-(2,5-dichloro-4-methylphenyl)-4-methoxypyrimidin-2-amine
CID 106999086
[4-[(5-chloro-4-methoxypyrimidin-2-yl)amino]-3-(2-fluoroethoxy)phenyl]-morpholin-4-ylmethanone
CID 71582693

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-cyclopropylsulfinyl-3-methylpyrazol-4-yl)-4-methoxypyrimidin-2-amine?
The IUPAC name of 5-chloro-N-(1-cyclopropylsulfinyl-3-methylpyrazol-4-yl)-4-methoxypyrimidin-2-amine (CID 126530457) is 5-chloro-N-(1-cyclopropylsulfinyl-3-methylpyrazol-4-yl)-4-methoxypyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-(1-cyclopropylsulfinyl-3-methylpyrazol-4-yl)-4-methoxypyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-(1-cyclopropylsulfinyl-3-methylpyrazol-4-yl)-4-methoxypyrimidin-2-amine is COc1nc(Nc2cn(S(=O)C3CC3)nc2C)ncc1Cl.
What is the InChIKey of 5-chloro-N-(1-cyclopropylsulfinyl-3-methylpyrazol-4-yl)-4-methoxypyrimidin-2-amine?
The InChIKey is JXODHROHEYDJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O2S/c1-7-10(6-18(17-7)21(19)8-3-4-8)15-12-14-5-9(13)11(16-12)20-2/h5-6,8H,3-4H2,1-2H3,(H,14,15,16).
What are the key properties of 5-chloro-N-(1-cyclopropylsulfinyl-3-methylpyrazol-4-yl)-4-methoxypyrimidin-2-amine?
5-chloro-N-(1-cyclopropylsulfinyl-3-methylpyrazol-4-yl)-4-methoxypyrimidin-2-amine has a molecular weight of 327.80 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-cyclopropylsulfinyl-3-methylpyrazol-4-yl)-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 126530457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).