4-chloro-6-propan-2-yloxypyrimidin-5-amine

C7H10ClN3O — CID 23477591

IUPAC4-chloro-6-propan-2-yloxypyrimidin-5-amine
SMILESCC(C)Oc1ncnc(Cl)c1N
InChIInChI=1S/C7H10ClN3O/c1-4(2)12-7-5(9)6(8)10-3-11-7/h3-4H,9H2,1-2H3
InChIKeyAVORAJQFAVNXFB-UHFFFAOYSA-N
MW187.63 g/mol
LogP1.50
Rot. Bonds2

About 4-chloro-6-propan-2-yloxypyrimidin-5-amine

4-chloro-6-propan-2-yloxypyrimidin-5-amine (PubChem CID 23477591) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 4-chloro-6-propan-2-yloxypyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-6-propan-2-yloxypyrimidin-5-amine
PubChem CID23477591
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name4-chloro-6-propan-2-yloxypyrimidin-5-amine
SMILESCC(C)Oc1ncnc(Cl)c1N
InChIInChI=1S/C7H10ClN3O/c1-4(2)12-7-5(9)6(8)10-3-11-7/h3-4H,9H2,1-2H3
InChIKeyAVORAJQFAVNXFB-UHFFFAOYSA-N
XLogP1.50
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-6-propan-2-yloxypyrimidin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-propan-2-yloxypyrimidin-5-amine?
The IUPAC name of 4-chloro-6-propan-2-yloxypyrimidin-5-amine (CID 23477591) is 4-chloro-6-propan-2-yloxypyrimidin-5-amine.
What is the SMILES notation for 4-chloro-6-propan-2-yloxypyrimidin-5-amine?
The canonical SMILES for 4-chloro-6-propan-2-yloxypyrimidin-5-amine is CC(C)Oc1ncnc(Cl)c1N.
What is the InChIKey of 4-chloro-6-propan-2-yloxypyrimidin-5-amine?
The InChIKey is AVORAJQFAVNXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O/c1-4(2)12-7-5(9)6(8)10-3-11-7/h3-4H,9H2,1-2H3.
What are the key properties of 4-chloro-6-propan-2-yloxypyrimidin-5-amine?
4-chloro-6-propan-2-yloxypyrimidin-5-amine has a molecular weight of 187.63 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-propan-2-yloxypyrimidin-5-amine is sourced from PubChem (CID 23477591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).