6-chloro-2-cyclopropyl-N-(2-methylprop-2-enyl)pyrimidin-4-amine

C11H14ClN3 — CID 104952861

IUPAC6-chloro-2-cyclopropyl-N-(2-methylprop-2-enyl)pyrimidin-4-amine
SMILESC=C(C)CNc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C11H14ClN3/c1-7(2)6-13-10-5-9(12)14-11(15-10)8-3-4-8/h5,8H,1,3-4,6H2,2H3,(H,13,14,15)
InChIKeyDCLSXSXXNOZNMC-UHFFFAOYSA-N
MW223.71 g/mol
LogP3.00
Rot. Bonds4

About 6-chloro-2-cyclopropyl-N-(2-methylprop-2-enyl)pyrimidin-4-amine

6-chloro-2-cyclopropyl-N-(2-methylprop-2-enyl)pyrimidin-4-amine (PubChem CID 104952861) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-(2-methylprop-2-enyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-(2-methylprop-2-enyl)pyrimidin-4-amine
PubChem CID104952861
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name6-chloro-2-cyclopropyl-N-(2-methylprop-2-enyl)pyrimidin-4-amine
SMILESC=C(C)CNc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C11H14ClN3/c1-7(2)6-13-10-5-9(12)14-11(15-10)8-3-4-8/h5,8H,1,3-4,6H2,2H3,(H,13,14,15)
InChIKeyDCLSXSXXNOZNMC-UHFFFAOYSA-N
XLogP3.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-(2-methylprop-2-enyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-(2-methylprop-2-enyl)pyrimidin-4-amine (CID 104952861) is 6-chloro-2-cyclopropyl-N-(2-methylprop-2-enyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-(2-methylprop-2-enyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-(2-methylprop-2-enyl)pyrimidin-4-amine is C=C(C)CNc1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-(2-methylprop-2-enyl)pyrimidin-4-amine?
The InChIKey is DCLSXSXXNOZNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c1-7(2)6-13-10-5-9(12)14-11(15-10)8-3-4-8/h5,8H,1,3-4,6H2,2H3,(H,13,14,15).
What are the key properties of 6-chloro-2-cyclopropyl-N-(2-methylprop-2-enyl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-(2-methylprop-2-enyl)pyrimidin-4-amine has a molecular weight of 223.71 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-(2-methylprop-2-enyl)pyrimidin-4-amine is sourced from PubChem (CID 104952861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).