2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-2-cyclopropylpropan-1-ol

C11H16ClN3O — CID 71848670

IUPAC2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-2-cyclopropylpropan-1-ol
SMILESCc1nc(Cl)cc(NC(C)(CO)C2CC2)n1
InChIInChI=1S/C11H16ClN3O/c1-7-13-9(12)5-10(14-7)15-11(2,6-16)8-3-4-8/h5,8,16H,3-4,6H2,1-2H3,(H,13,14,15)
InChIKeyVJBNWQICLQXBIB-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.01
Rot. Bonds4

About 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-2-cyclopropylpropan-1-ol

2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-2-cyclopropylpropan-1-ol (PubChem CID 71848670) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-2-cyclopropylpropan-1-ol.

Molecular Properties

Compound Name2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-2-cyclopropylpropan-1-ol
PubChem CID71848670
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-2-cyclopropylpropan-1-ol
SMILESCc1nc(Cl)cc(NC(C)(CO)C2CC2)n1
InChIInChI=1S/C11H16ClN3O/c1-7-13-9(12)5-10(14-7)15-11(2,6-16)8-3-4-8/h5,8,16H,3-4,6H2,1-2H3,(H,13,14,15)
InChIKeyVJBNWQICLQXBIB-UHFFFAOYSA-N
XLogP2.01
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-2-cyclopropylpropan-1-ol?
The IUPAC name of 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-2-cyclopropylpropan-1-ol (CID 71848670) is 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-2-cyclopropylpropan-1-ol.
What is the SMILES notation for 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-2-cyclopropylpropan-1-ol?
The canonical SMILES for 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-2-cyclopropylpropan-1-ol is Cc1nc(Cl)cc(NC(C)(CO)C2CC2)n1.
What is the InChIKey of 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-2-cyclopropylpropan-1-ol?
The InChIKey is VJBNWQICLQXBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-7-13-9(12)5-10(14-7)15-11(2,6-16)8-3-4-8/h5,8,16H,3-4,6H2,1-2H3,(H,13,14,15).
What are the key properties of 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-2-cyclopropylpropan-1-ol?
2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-2-cyclopropylpropan-1-ol has a molecular weight of 241.72 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-2-cyclopropylpropan-1-ol is sourced from PubChem (CID 71848670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).