[4-chloro-6-(dimethylamino)pyrimidin-5-yl]methanol

C7H10ClN3O — CID 71756642

IUPAC[4-chloro-6-(dimethylamino)pyrimidin-5-yl]methanol
SMILESCN(C)c1ncnc(Cl)c1CO
InChIInChI=1S/C7H10ClN3O/c1-11(2)7-5(3-12)6(8)9-4-10-7/h4,12H,3H2,1-2H3
InChIKeyASKHSFWKGLHIAA-UHFFFAOYSA-N
MW187.63 g/mol
LogP0.69
Rot. Bonds2

About [4-chloro-6-(dimethylamino)pyrimidin-5-yl]methanol

[4-chloro-6-(dimethylamino)pyrimidin-5-yl]methanol (PubChem CID 71756642) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is [4-chloro-6-(dimethylamino)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-6-(dimethylamino)pyrimidin-5-yl]methanol
PubChem CID71756642
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name[4-chloro-6-(dimethylamino)pyrimidin-5-yl]methanol
SMILESCN(C)c1ncnc(Cl)c1CO
InChIInChI=1S/C7H10ClN3O/c1-11(2)7-5(3-12)6(8)9-4-10-7/h4,12H,3H2,1-2H3
InChIKeyASKHSFWKGLHIAA-UHFFFAOYSA-N
XLogP0.69
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-6-(dimethylamino)pyrimidin-5-yl]methanol?
The IUPAC name of [4-chloro-6-(dimethylamino)pyrimidin-5-yl]methanol (CID 71756642) is [4-chloro-6-(dimethylamino)pyrimidin-5-yl]methanol.
What is the SMILES notation for [4-chloro-6-(dimethylamino)pyrimidin-5-yl]methanol?
The canonical SMILES for [4-chloro-6-(dimethylamino)pyrimidin-5-yl]methanol is CN(C)c1ncnc(Cl)c1CO.
What is the InChIKey of [4-chloro-6-(dimethylamino)pyrimidin-5-yl]methanol?
The InChIKey is ASKHSFWKGLHIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O/c1-11(2)7-5(3-12)6(8)9-4-10-7/h4,12H,3H2,1-2H3.
What are the key properties of [4-chloro-6-(dimethylamino)pyrimidin-5-yl]methanol?
[4-chloro-6-(dimethylamino)pyrimidin-5-yl]methanol has a molecular weight of 187.63 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-6-(dimethylamino)pyrimidin-5-yl]methanol is sourced from PubChem (CID 71756642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).