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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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).