6-chloro-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

C9H10ClN5 — CID 175880737

IUPAC6-chloro-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2ncnc(Cl)c2C)n[nH]1
InChIInChI=1S/C9H10ClN5/c1-5-3-7(15-14-5)13-9-6(2)8(10)11-4-12-9/h3-4H,1-2H3,(H2,11,12,13,14,15)
InChIKeyVUBLVRMYOJLWJP-UHFFFAOYSA-N
MW223.67 g/mol
LogP2.21
Rot. Bonds2

About 6-chloro-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

6-chloro-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 175880737) has the molecular formula C9H10ClN5 and a molecular weight of 223.67 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
PubChem CID175880737
Molecular FormulaC9H10ClN5
Molecular Weight223.67 g/mol
Exact Mass223.06
IUPAC Name6-chloro-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2ncnc(Cl)c2C)n[nH]1
InChIInChI=1S/C9H10ClN5/c1-5-3-7(15-14-5)13-9-6(2)8(10)11-4-12-9/h3-4H,1-2H3,(H2,11,12,13,14,15)
InChIKeyVUBLVRMYOJLWJP-UHFFFAOYSA-N
XLogP2.21
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.67
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(azepan-1-yl)-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 175880742
6-chloro-N-(3,5-dichlorophenyl)-5-methylpyrimidin-4-amine
CID 63735089
6-chloro-N-(4-fluorophenyl)-5-methylpyrimidin-4-amine
CID 63735765
N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
CID 18382908
2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine
CID 58255169
N-(5-methyl-1H-pyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine
CID 90245634
5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 123445272
6-chloro-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 63735421
6-chloro-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 63734039
N-(4-bromo-3-methylphenyl)-6-chloro-5-methylpyrimidin-4-amine
CID 55229097
6-chloro-N-(2-chloro-4-fluorophenyl)-5-methylpyrimidin-4-amine
CID 63736084
N-(4-bromo-2-chlorophenyl)-6-chloro-5-methylpyrimidin-4-amine
CID 55230638

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 175880737) is 6-chloro-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is Cc1cc(Nc2ncnc(Cl)c2C)n[nH]1.
What is the InChIKey of 6-chloro-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is VUBLVRMYOJLWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5/c1-5-3-7(15-14-5)13-9-6(2)8(10)11-4-12-9/h3-4H,1-2H3,(H2,11,12,13,14,15).
What are the key properties of 6-chloro-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
6-chloro-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 223.67 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 175880737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).