6-chloro-2-cyclopropyl-5-methyl-N-prop-2-ynylpyrimidin-4-amine

C11H12ClN3 — CID 106194712

IUPAC6-chloro-2-cyclopropyl-5-methyl-N-prop-2-ynylpyrimidin-4-amine
SMILESC#CCNc1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C11H12ClN3/c1-3-6-13-10-7(2)9(12)14-11(15-10)8-4-5-8/h1,8H,4-6H2,2H3,(H,13,14,15)
InChIKeyKBWDIPTUWQLDBX-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.36
Rot. Bonds3

About 6-chloro-2-cyclopropyl-5-methyl-N-prop-2-ynylpyrimidin-4-amine

6-chloro-2-cyclopropyl-5-methyl-N-prop-2-ynylpyrimidin-4-amine (PubChem CID 106194712) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-5-methyl-N-prop-2-ynylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-5-methyl-N-prop-2-ynylpyrimidin-4-amine
PubChem CID106194712
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name6-chloro-2-cyclopropyl-5-methyl-N-prop-2-ynylpyrimidin-4-amine
SMILESC#CCNc1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C11H12ClN3/c1-3-6-13-10-7(2)9(12)14-11(15-10)8-4-5-8/h1,8H,4-6H2,2H3,(H,13,14,15)
InChIKeyKBWDIPTUWQLDBX-UHFFFAOYSA-N
XLogP2.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-prop-2-ynylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-prop-2-ynylpyrimidin-4-amine (CID 106194712) is 6-chloro-2-cyclopropyl-5-methyl-N-prop-2-ynylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-5-methyl-N-prop-2-ynylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-5-methyl-N-prop-2-ynylpyrimidin-4-amine is C#CCNc1nc(C2CC2)nc(Cl)c1C.
What is the InChIKey of 6-chloro-2-cyclopropyl-5-methyl-N-prop-2-ynylpyrimidin-4-amine?
The InChIKey is KBWDIPTUWQLDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-3-6-13-10-7(2)9(12)14-11(15-10)8-4-5-8/h1,8H,4-6H2,2H3,(H,13,14,15).
What are the key properties of 6-chloro-2-cyclopropyl-5-methyl-N-prop-2-ynylpyrimidin-4-amine?
6-chloro-2-cyclopropyl-5-methyl-N-prop-2-ynylpyrimidin-4-amine has a molecular weight of 221.69 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-5-methyl-N-prop-2-ynylpyrimidin-4-amine is sourced from PubChem (CID 106194712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).