3-amino-2-(6-methoxy-2-methylpyrimidin-4-yl)propan-1-ol

C9H15N3O2 — CID 66331263

IUPAC3-amino-2-(6-methoxy-2-methylpyrimidin-4-yl)propan-1-ol
SMILESCOc1cc(C(CN)CO)nc(C)n1
InChIInChI=1S/C9H15N3O2/c1-6-11-8(7(4-10)5-13)3-9(12-6)14-2/h3,7,13H,4-5,10H2,1-2H3
InChIKeyFRPIWBCUKMOBGH-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.17
Rot. Bonds4

About 3-amino-2-(6-methoxy-2-methylpyrimidin-4-yl)propan-1-ol

3-amino-2-(6-methoxy-2-methylpyrimidin-4-yl)propan-1-ol (PubChem CID 66331263) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-amino-2-(6-methoxy-2-methylpyrimidin-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(6-methoxy-2-methylpyrimidin-4-yl)propan-1-ol
PubChem CID66331263
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-amino-2-(6-methoxy-2-methylpyrimidin-4-yl)propan-1-ol
SMILESCOc1cc(C(CN)CO)nc(C)n1
InChIInChI=1S/C9H15N3O2/c1-6-11-8(7(4-10)5-13)3-9(12-6)14-2/h3,7,13H,4-5,10H2,1-2H3
InChIKeyFRPIWBCUKMOBGH-UHFFFAOYSA-N
XLogP-0.17
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(6-methoxy-2-methylpyrimidin-4-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(6-methoxy-2-methylpyrimidin-4-yl)propan-1-ol (CID 66331263) is 3-amino-2-(6-methoxy-2-methylpyrimidin-4-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(6-methoxy-2-methylpyrimidin-4-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(6-methoxy-2-methylpyrimidin-4-yl)propan-1-ol is COc1cc(C(CN)CO)nc(C)n1.
What is the InChIKey of 3-amino-2-(6-methoxy-2-methylpyrimidin-4-yl)propan-1-ol?
The InChIKey is FRPIWBCUKMOBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6-11-8(7(4-10)5-13)3-9(12-6)14-2/h3,7,13H,4-5,10H2,1-2H3.
What are the key properties of 3-amino-2-(6-methoxy-2-methylpyrimidin-4-yl)propan-1-ol?
3-amino-2-(6-methoxy-2-methylpyrimidin-4-yl)propan-1-ol has a molecular weight of 197.24 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(6-methoxy-2-methylpyrimidin-4-yl)propan-1-ol is sourced from PubChem (CID 66331263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).