6-chloro-2-cyclopropyl-5-methyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine

C12H14ClN5 — CID 80977609

IUPAC6-chloro-2-cyclopropyl-5-methyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1Nc1ccn(C)n1
InChIInChI=1S/C12H14ClN5/c1-7-10(13)15-12(8-3-4-8)16-11(7)14-9-5-6-18(2)17-9/h5-6,8H,3-4H2,1-2H3,(H,14,15,16,17)
InChIKeyLIYBKWGBGQXLPI-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.79
Rot. Bonds3

About 6-chloro-2-cyclopropyl-5-methyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine

6-chloro-2-cyclopropyl-5-methyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine (PubChem CID 80977609) has the molecular formula C12H14ClN5 and a molecular weight of 263.73 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-5-methyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-5-methyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine
PubChem CID80977609
Molecular FormulaC12H14ClN5
Molecular Weight263.73 g/mol
Exact Mass263.09
IUPAC Name6-chloro-2-cyclopropyl-5-methyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1Nc1ccn(C)n1
InChIInChI=1S/C12H14ClN5/c1-7-10(13)15-12(8-3-4-8)16-11(7)14-9-5-6-18(2)17-9/h5-6,8H,3-4H2,1-2H3,(H,14,15,16,17)
InChIKeyLIYBKWGBGQXLPI-UHFFFAOYSA-N
XLogP2.79
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-cyclopropyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine
CID 80951240
6-chloro-2-cyclopropyl-5-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 80974160
6-chloro-2-cyclopropyl-N-(2,3-dimethylphenyl)-5-methylpyrimidin-4-amine
CID 80970384
6-chloro-2-cyclopropyl-N-(5-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine
CID 80970382
6-chloro-2-cyclopropyl-5-methyl-N-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 80973859
6-chloro-2-cyclopropyl-N-(4-ethylphenyl)-5-methylpyrimidin-4-amine
CID 80970768
6-chloro-2-cyclopropyl-N-(2-fluoro-5-methylphenyl)-5-methylpyrimidin-4-amine
CID 80974137
6-chloro-2-cyclopropyl-N-(2,6-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine
CID 83020281
N-(3-bromo-5-methylphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 107576919
6-chloro-2-cyclopropyl-5-methyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80974347
6-chloro-2-cyclopropyl-N-(4-ethoxyphenyl)-5-methylpyrimidin-4-amine
CID 80974062
6-chloro-N-cyclopent-3-en-1-yl-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 106196088

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine (CID 80977609) is 6-chloro-2-cyclopropyl-5-methyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-5-methyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-5-methyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine is Cc1c(Cl)nc(C2CC2)nc1Nc1ccn(C)n1.
What is the InChIKey of 6-chloro-2-cyclopropyl-5-methyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is LIYBKWGBGQXLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5/c1-7-10(13)15-12(8-3-4-8)16-11(7)14-9-5-6-18(2)17-9/h5-6,8H,3-4H2,1-2H3,(H,14,15,16,17).
What are the key properties of 6-chloro-2-cyclopropyl-5-methyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-5-methyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 263.73 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-5-methyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 80977609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).