1-[methyl(pyrimidin-4-yl)amino]propan-2-ol

C8H13N3O — CID 62332971

IUPAC1-[methyl(pyrimidin-4-yl)amino]propan-2-ol
SMILESCC(O)CN(C)c1ccncn1
InChIInChI=1S/C8H13N3O/c1-7(12)5-11(2)8-3-4-9-6-10-8/h3-4,6-7,12H,5H2,1-2H3
InChIKeyJTASKYTVGAQKIB-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.29
Rot. Bonds3

About 1-[methyl(pyrimidin-4-yl)amino]propan-2-ol

1-[methyl(pyrimidin-4-yl)amino]propan-2-ol (PubChem CID 62332971) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-[methyl(pyrimidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[methyl(pyrimidin-4-yl)amino]propan-2-ol
PubChem CID62332971
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-[methyl(pyrimidin-4-yl)amino]propan-2-ol
SMILESCC(O)CN(C)c1ccncn1
InChIInChI=1S/C8H13N3O/c1-7(12)5-11(2)8-3-4-9-6-10-8/h3-4,6-7,12H,5H2,1-2H3
InChIKeyJTASKYTVGAQKIB-UHFFFAOYSA-N
XLogP0.29
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl(pyrimidin-4-yl)amino]propan-2-ol?
The IUPAC name of 1-[methyl(pyrimidin-4-yl)amino]propan-2-ol (CID 62332971) is 1-[methyl(pyrimidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[methyl(pyrimidin-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-[methyl(pyrimidin-4-yl)amino]propan-2-ol is CC(O)CN(C)c1ccncn1.
What is the InChIKey of 1-[methyl(pyrimidin-4-yl)amino]propan-2-ol?
The InChIKey is JTASKYTVGAQKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-7(12)5-11(2)8-3-4-9-6-10-8/h3-4,6-7,12H,5H2,1-2H3.
What are the key properties of 1-[methyl(pyrimidin-4-yl)amino]propan-2-ol?
1-[methyl(pyrimidin-4-yl)amino]propan-2-ol has a molecular weight of 167.21 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(pyrimidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 62332971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).