3-(2-amino-4-methoxypyrimidin-5-yl)propan-1-ol

C8H13N3O2 — CID 164908399

IUPAC3-(2-amino-4-methoxypyrimidin-5-yl)propan-1-ol
SMILESCOc1nc(N)ncc1CCCO
InChIInChI=1S/C8H13N3O2/c1-13-7-6(3-2-4-12)5-10-8(9)11-7/h5,12H,2-4H2,1H3,(H2,9,10,11)
InChIKeyMRAFPNJBCLRJOG-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.01
Rot. Bonds4

About 3-(2-amino-4-methoxypyrimidin-5-yl)propan-1-ol

3-(2-amino-4-methoxypyrimidin-5-yl)propan-1-ol (PubChem CID 164908399) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-(2-amino-4-methoxypyrimidin-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2-amino-4-methoxypyrimidin-5-yl)propan-1-ol
PubChem CID164908399
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name3-(2-amino-4-methoxypyrimidin-5-yl)propan-1-ol
SMILESCOc1nc(N)ncc1CCCO
InChIInChI=1S/C8H13N3O2/c1-13-7-6(3-2-4-12)5-10-8(9)11-7/h5,12H,2-4H2,1H3,(H2,9,10,11)
InChIKeyMRAFPNJBCLRJOG-UHFFFAOYSA-N
XLogP-0.01
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-methoxypyrimidin-5-yl)propan-1-ol?
The IUPAC name of 3-(2-amino-4-methoxypyrimidin-5-yl)propan-1-ol (CID 164908399) is 3-(2-amino-4-methoxypyrimidin-5-yl)propan-1-ol.
What is the SMILES notation for 3-(2-amino-4-methoxypyrimidin-5-yl)propan-1-ol?
The canonical SMILES for 3-(2-amino-4-methoxypyrimidin-5-yl)propan-1-ol is COc1nc(N)ncc1CCCO.
What is the InChIKey of 3-(2-amino-4-methoxypyrimidin-5-yl)propan-1-ol?
The InChIKey is MRAFPNJBCLRJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-13-7-6(3-2-4-12)5-10-8(9)11-7/h5,12H,2-4H2,1H3,(H2,9,10,11).
What are the key properties of 3-(2-amino-4-methoxypyrimidin-5-yl)propan-1-ol?
3-(2-amino-4-methoxypyrimidin-5-yl)propan-1-ol has a molecular weight of 183.21 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-methoxypyrimidin-5-yl)propan-1-ol is sourced from PubChem (CID 164908399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).