1-[(2-chloro-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol

C9H14ClN3O — CID 79072496

IUPAC1-[(2-chloro-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol
SMILESCc1cnc(Cl)nc1N(C)CC(C)O
InChIInChI=1S/C9H14ClN3O/c1-6-4-11-9(10)12-8(6)13(3)5-7(2)14/h4,7,14H,5H2,1-3H3
InChIKeyGDTHOWDNPNSSTR-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.26
Rot. Bonds3

About 1-[(2-chloro-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol

1-[(2-chloro-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol (PubChem CID 79072496) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 1-[(2-chloro-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(2-chloro-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol
PubChem CID79072496
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name1-[(2-chloro-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol
SMILESCc1cnc(Cl)nc1N(C)CC(C)O
InChIInChI=1S/C9H14ClN3O/c1-6-4-11-9(10)12-8(6)13(3)5-7(2)14/h4,7,14H,5H2,1-3H3
InChIKeyGDTHOWDNPNSSTR-UHFFFAOYSA-N
XLogP1.26
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol?
The IUPAC name of 1-[(2-chloro-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol (CID 79072496) is 1-[(2-chloro-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol.
What is the SMILES notation for 1-[(2-chloro-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol?
The canonical SMILES for 1-[(2-chloro-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol is Cc1cnc(Cl)nc1N(C)CC(C)O.
What is the InChIKey of 1-[(2-chloro-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol?
The InChIKey is GDTHOWDNPNSSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-6-4-11-9(10)12-8(6)13(3)5-7(2)14/h4,7,14H,5H2,1-3H3.
What are the key properties of 1-[(2-chloro-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol?
1-[(2-chloro-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol has a molecular weight of 215.68 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol is sourced from PubChem (CID 79072496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).