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

C8H13N3O2 — CID 82655096

IUPAC2-amino-1-(4-methoxypyrimidin-5-yl)propan-1-ol
SMILESCOc1ncncc1C(O)C(C)N
InChIInChI=1S/C8H13N3O2/c1-5(9)7(12)6-3-10-4-11-8(6)13-2/h3-5,7,12H,9H2,1-2H3
InChIKeyCXVHGKUVOPMZLL-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.13
Rot. Bonds3

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

2-amino-1-(4-methoxypyrimidin-5-yl)propan-1-ol (PubChem CID 82655096) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-amino-1-(4-methoxypyrimidin-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(4-methoxypyrimidin-5-yl)propan-1-ol
PubChem CID82655096
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-amino-1-(4-methoxypyrimidin-5-yl)propan-1-ol
SMILESCOc1ncncc1C(O)C(C)N
InChIInChI=1S/C8H13N3O2/c1-5(9)7(12)6-3-10-4-11-8(6)13-2/h3-5,7,12H,9H2,1-2H3
InChIKeyCXVHGKUVOPMZLL-UHFFFAOYSA-N
XLogP-0.13
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxypyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanol
CID 19702800
(2R)-2-amino-N-(4-methoxypyrimidin-5-yl)propanamide
CID 131207179
4-methoxy-5-[(1S)-2-methyl-1-(4-methylphenyl)propyl]pyrimidine
CID 129395453
(2R)-2-amino-1-(4-methyl-3-pyridinyl)propan-1-ol
CID 164658532
1-(5-fluoro-2-methoxy-3-pyridinyl)ethanamine;dihydrochloride
CID 162422590
(1S,2R)-2-amino-1-(2-methoxyphenyl)propan-1-ol
CID 15671931
N-tert-butyl-4-(4-methoxypyrimidin-5-yl)-N-methylpentan-1-amine
CID 58313531
1-(4-ethoxypyrimidin-5-yl)propan-2-amine
CID 83875775
1-amino-1-(2-methoxy-3-pyridinyl)propan-2-ol
CID 55292838
5-(hydroperoxymethyl)-4-methoxypyrimidine
CID 155649595
(1R,2R)-2-amino-1-(6-amino-4-methyl-3-pyridinyl)propan-1-ol
CID 130884546
4-methoxy-N,N-dimethylpyrimidin-5-amine
CID 173064596

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-methoxypyrimidin-5-yl)propan-1-ol?
The IUPAC name of 2-amino-1-(4-methoxypyrimidin-5-yl)propan-1-ol (CID 82655096) is 2-amino-1-(4-methoxypyrimidin-5-yl)propan-1-ol.
What is the SMILES notation for 2-amino-1-(4-methoxypyrimidin-5-yl)propan-1-ol?
The canonical SMILES for 2-amino-1-(4-methoxypyrimidin-5-yl)propan-1-ol is COc1ncncc1C(O)C(C)N.
What is the InChIKey of 2-amino-1-(4-methoxypyrimidin-5-yl)propan-1-ol?
The InChIKey is CXVHGKUVOPMZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5(9)7(12)6-3-10-4-11-8(6)13-2/h3-5,7,12H,9H2,1-2H3.
What are the key properties of 2-amino-1-(4-methoxypyrimidin-5-yl)propan-1-ol?
2-amino-1-(4-methoxypyrimidin-5-yl)propan-1-ol has a molecular weight of 183.21 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methoxypyrimidin-5-yl)propan-1-ol is sourced from PubChem (CID 82655096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).