6-(4-chloro-3-methylpyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine

C11H14ClN5 — CID 80868992

IUPAC6-(4-chloro-3-methylpyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine
SMILESCc1nn(-c2ncnc(N)c2C(C)C)cc1Cl
InChIInChI=1S/C11H14ClN5/c1-6(2)9-10(13)14-5-15-11(9)17-4-8(12)7(3)16-17/h4-6H,1-3H3,(H2,13,14,15)
InChIKeyQWCCBIMEKJTOSX-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.33
Rot. Bonds2

About 6-(4-chloro-3-methylpyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine

6-(4-chloro-3-methylpyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80868992) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 6-(4-chloro-3-methylpyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chloro-3-methylpyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine
PubChem CID80868992
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name6-(4-chloro-3-methylpyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine
SMILESCc1nn(-c2ncnc(N)c2C(C)C)cc1Cl
InChIInChI=1S/C11H14ClN5/c1-6(2)9-10(13)14-5-15-11(9)17-4-8(12)7(3)16-17/h4-6H,1-3H3,(H2,13,14,15)
InChIKeyQWCCBIMEKJTOSX-UHFFFAOYSA-N
XLogP2.33
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N~4~-[3-(4-chloro-1H-pyrazol-1-yl)propyl]-5-ethylpyrimidine-2,4-diamine
CID 72904629
4-amino-2-[[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl](methyl)amino]pyrimidine-5-carbonitrile
CID 129617203
5-(2-Butyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-methylpyrimidine
CID 131944778
2-Chloro-4-[3-methyl-4-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 145770026
4-Chloro-2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidine
CID 170783070
(Z)-N'-[(4-chloro-5-fluoro-1-methylpyrazol-3-yl)methyl]-3-[(5-methylpyrimidin-2-yl)amino]prop-2-enimidamide
CID 178682662
(Z)-N-[(4-chloro-5-fluoro-1-methylpyrazol-3-yl)methylidene]-3-[(5-methylpyrimidin-2-yl)amino]prop-2-enimidamide
CID 178682681
4-Chloro-5-ethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 55228942
4-Chloro-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 61631941
4-Chloro-5-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 63730232
4-Chloro-5-propan-2-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 63730378
4-Chloro-2,5-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 63730379

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-methylpyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(4-chloro-3-methylpyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine (CID 80868992) is 6-(4-chloro-3-methylpyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-chloro-3-methylpyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(4-chloro-3-methylpyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine is Cc1nn(-c2ncnc(N)c2C(C)C)cc1Cl.
What is the InChIKey of 6-(4-chloro-3-methylpyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is QWCCBIMEKJTOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-6(2)9-10(13)14-5-15-11(9)17-4-8(12)7(3)16-17/h4-6H,1-3H3,(H2,13,14,15).
What are the key properties of 6-(4-chloro-3-methylpyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine?
6-(4-chloro-3-methylpyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 251.72 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-methylpyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80868992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).