4-chloro-N-cyclopropyl-5-methoxypyrimidin-2-amine

C8H10ClN3O — CID 66569539

IUPAC4-chloro-N-cyclopropyl-5-methoxypyrimidin-2-amine
SMILESCOc1cnc(NC2CC2)nc1Cl
InChIInChI=1S/C8H10ClN3O/c1-13-6-4-10-8(12-7(6)9)11-5-2-3-5/h4-5H,2-3H2,1H3,(H,10,11,12)
InChIKeyGDWCBTGPYZTQFD-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.71
Rot. Bonds3

About 4-chloro-N-cyclopropyl-5-methoxypyrimidin-2-amine

4-chloro-N-cyclopropyl-5-methoxypyrimidin-2-amine (PubChem CID 66569539) has the molecular formula C8H10ClN3O and a molecular weight of 199.64 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-5-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-5-methoxypyrimidin-2-amine
PubChem CID66569539
Molecular FormulaC8H10ClN3O
Molecular Weight199.64 g/mol
Exact Mass199.05
IUPAC Name4-chloro-N-cyclopropyl-5-methoxypyrimidin-2-amine
SMILESCOc1cnc(NC2CC2)nc1Cl
InChIInChI=1S/C8H10ClN3O/c1-13-6-4-10-8(12-7(6)9)11-5-2-3-5/h4-5H,2-3H2,1H3,(H,10,11,12)
InChIKeyGDWCBTGPYZTQFD-UHFFFAOYSA-N
XLogP1.71
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-5-methoxypyrimidin-2-amine?
The IUPAC name of 4-chloro-N-cyclopropyl-5-methoxypyrimidin-2-amine (CID 66569539) is 4-chloro-N-cyclopropyl-5-methoxypyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-cyclopropyl-5-methoxypyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-cyclopropyl-5-methoxypyrimidin-2-amine is COc1cnc(NC2CC2)nc1Cl.
What is the InChIKey of 4-chloro-N-cyclopropyl-5-methoxypyrimidin-2-amine?
The InChIKey is GDWCBTGPYZTQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O/c1-13-6-4-10-8(12-7(6)9)11-5-2-3-5/h4-5H,2-3H2,1H3,(H,10,11,12).
What are the key properties of 4-chloro-N-cyclopropyl-5-methoxypyrimidin-2-amine?
4-chloro-N-cyclopropyl-5-methoxypyrimidin-2-amine has a molecular weight of 199.64 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-5-methoxypyrimidin-2-amine is sourced from PubChem (CID 66569539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).