1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]propan-2-ol

C11H16ClN3O — CID 80951707

IUPAC1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C11H16ClN3O/c1-7(16)6-15(2)10-5-9(12)13-11(14-10)8-3-4-8/h5,7-8,16H,3-4,6H2,1-2H3
InChIKeyDGPHSAQXYRVHJH-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.82
Rot. Bonds4

About 1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]propan-2-ol

1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]propan-2-ol (PubChem CID 80951707) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]propan-2-ol
PubChem CID80951707
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C11H16ClN3O/c1-7(16)6-15(2)10-5-9(12)13-11(14-10)8-3-4-8/h5,7-8,16H,3-4,6H2,1-2H3
InChIKeyDGPHSAQXYRVHJH-UHFFFAOYSA-N
XLogP1.82
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]propan-2-ol?
The IUPAC name of 1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]propan-2-ol (CID 80951707) is 1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]propan-2-ol.
What is the SMILES notation for 1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]propan-2-ol?
The canonical SMILES for 1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]propan-2-ol is CC(O)CN(C)c1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of 1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]propan-2-ol?
The InChIKey is DGPHSAQXYRVHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-7(16)6-15(2)10-5-9(12)13-11(14-10)8-3-4-8/h5,7-8,16H,3-4,6H2,1-2H3.
What are the key properties of 1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]propan-2-ol?
1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]propan-2-ol has a molecular weight of 241.72 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]propan-2-ol is sourced from PubChem (CID 80951707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).