6-chloro-5-methyl-N-(2-methylcyclopropyl)pyrimidin-4-amine

C9H12ClN3 — CID 63728358

IUPAC6-chloro-5-methyl-N-(2-methylcyclopropyl)pyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NC1CC1C
InChIInChI=1S/C9H12ClN3/c1-5-3-7(5)13-9-6(2)8(10)11-4-12-9/h4-5,7H,3H2,1-2H3,(H,11,12,13)
InChIKeyQRJKILOTXBPWNR-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.26
Rot. Bonds2

About 6-chloro-5-methyl-N-(2-methylcyclopropyl)pyrimidin-4-amine

6-chloro-5-methyl-N-(2-methylcyclopropyl)pyrimidin-4-amine (PubChem CID 63728358) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-(2-methylcyclopropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-(2-methylcyclopropyl)pyrimidin-4-amine
PubChem CID63728358
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name6-chloro-5-methyl-N-(2-methylcyclopropyl)pyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NC1CC1C
InChIInChI=1S/C9H12ClN3/c1-5-3-7(5)13-9-6(2)8(10)11-4-12-9/h4-5,7H,3H2,1-2H3,(H,11,12,13)
InChIKeyQRJKILOTXBPWNR-UHFFFAOYSA-N
XLogP2.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-(2-methylcyclopropyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-N-(2-methylcyclopropyl)pyrimidin-4-amine (CID 63728358) is 6-chloro-5-methyl-N-(2-methylcyclopropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-(2-methylcyclopropyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-N-(2-methylcyclopropyl)pyrimidin-4-amine is Cc1c(Cl)ncnc1NC1CC1C.
What is the InChIKey of 6-chloro-5-methyl-N-(2-methylcyclopropyl)pyrimidin-4-amine?
The InChIKey is QRJKILOTXBPWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c1-5-3-7(5)13-9-6(2)8(10)11-4-12-9/h4-5,7H,3H2,1-2H3,(H,11,12,13).
What are the key properties of 6-chloro-5-methyl-N-(2-methylcyclopropyl)pyrimidin-4-amine?
6-chloro-5-methyl-N-(2-methylcyclopropyl)pyrimidin-4-amine has a molecular weight of 197.67 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-(2-methylcyclopropyl)pyrimidin-4-amine is sourced from PubChem (CID 63728358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).