[4-chloro-2-methyl-6-(methylamino)pyrimidin-5-yl]methanol

C7H10ClN3O — CID 164917253

IUPAC[4-chloro-2-methyl-6-(methylamino)pyrimidin-5-yl]methanol
SMILESCNc1nc(C)nc(Cl)c1CO
InChIInChI=1S/C7H10ClN3O/c1-4-10-6(8)5(3-12)7(9-2)11-4/h12H,3H2,1-2H3,(H,9,10,11)
InChIKeyHKRVEZLYHVNPFN-UHFFFAOYSA-N
MW187.63 g/mol
LogP0.97
Rot. Bonds2

About [4-chloro-2-methyl-6-(methylamino)pyrimidin-5-yl]methanol

[4-chloro-2-methyl-6-(methylamino)pyrimidin-5-yl]methanol (PubChem CID 164917253) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is [4-chloro-2-methyl-6-(methylamino)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-methyl-6-(methylamino)pyrimidin-5-yl]methanol
PubChem CID164917253
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name[4-chloro-2-methyl-6-(methylamino)pyrimidin-5-yl]methanol
SMILESCNc1nc(C)nc(Cl)c1CO
InChIInChI=1S/C7H10ClN3O/c1-4-10-6(8)5(3-12)7(9-2)11-4/h12H,3H2,1-2H3,(H,9,10,11)
InChIKeyHKRVEZLYHVNPFN-UHFFFAOYSA-N
XLogP0.97
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-methyl-6-(methylamino)pyrimidin-5-yl]methanol?
The IUPAC name of [4-chloro-2-methyl-6-(methylamino)pyrimidin-5-yl]methanol (CID 164917253) is [4-chloro-2-methyl-6-(methylamino)pyrimidin-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-methyl-6-(methylamino)pyrimidin-5-yl]methanol?
The canonical SMILES for [4-chloro-2-methyl-6-(methylamino)pyrimidin-5-yl]methanol is CNc1nc(C)nc(Cl)c1CO.
What is the InChIKey of [4-chloro-2-methyl-6-(methylamino)pyrimidin-5-yl]methanol?
The InChIKey is HKRVEZLYHVNPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O/c1-4-10-6(8)5(3-12)7(9-2)11-4/h12H,3H2,1-2H3,(H,9,10,11).
What are the key properties of [4-chloro-2-methyl-6-(methylamino)pyrimidin-5-yl]methanol?
[4-chloro-2-methyl-6-(methylamino)pyrimidin-5-yl]methanol has a molecular weight of 187.63 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-methyl-6-(methylamino)pyrimidin-5-yl]methanol is sourced from PubChem (CID 164917253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).