3-amino-2-methyl-1-pyrimidin-4-ylpropan-1-ol

C8H13N3O — CID 79124586

IUPAC3-amino-2-methyl-1-pyrimidin-4-ylpropan-1-ol
SMILESCC(CN)C(O)c1ccncn1
InChIInChI=1S/C8H13N3O/c1-6(4-9)8(12)7-2-3-10-5-11-7/h2-3,5-6,8,12H,4,9H2,1H3
InChIKeySCRGRHZJWCBYHZ-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.10
Rot. Bonds3

About 3-amino-2-methyl-1-pyrimidin-4-ylpropan-1-ol

3-amino-2-methyl-1-pyrimidin-4-ylpropan-1-ol (PubChem CID 79124586) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-amino-2-methyl-1-pyrimidin-4-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-2-methyl-1-pyrimidin-4-ylpropan-1-ol
PubChem CID79124586
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-amino-2-methyl-1-pyrimidin-4-ylpropan-1-ol
SMILESCC(CN)C(O)c1ccncn1
InChIInChI=1S/C8H13N3O/c1-6(4-9)8(12)7-2-3-10-5-11-7/h2-3,5-6,8,12H,4,9H2,1H3
InChIKeySCRGRHZJWCBYHZ-UHFFFAOYSA-N
XLogP0.10
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-pyrimidin-4-ylpropan-1-ol?
The IUPAC name of 3-amino-2-methyl-1-pyrimidin-4-ylpropan-1-ol (CID 79124586) is 3-amino-2-methyl-1-pyrimidin-4-ylpropan-1-ol.
What is the SMILES notation for 3-amino-2-methyl-1-pyrimidin-4-ylpropan-1-ol?
The canonical SMILES for 3-amino-2-methyl-1-pyrimidin-4-ylpropan-1-ol is CC(CN)C(O)c1ccncn1.
What is the InChIKey of 3-amino-2-methyl-1-pyrimidin-4-ylpropan-1-ol?
The InChIKey is SCRGRHZJWCBYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6(4-9)8(12)7-2-3-10-5-11-7/h2-3,5-6,8,12H,4,9H2,1H3.
What are the key properties of 3-amino-2-methyl-1-pyrimidin-4-ylpropan-1-ol?
3-amino-2-methyl-1-pyrimidin-4-ylpropan-1-ol has a molecular weight of 167.21 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1-pyrimidin-4-ylpropan-1-ol is sourced from PubChem (CID 79124586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).