3-[2-(methylamino)pyrimidin-4-yl]oxypropan-1-ol

C8H13N3O2 — CID 80865476

IUPAC3-[2-(methylamino)pyrimidin-4-yl]oxypropan-1-ol
SMILESCNc1nccc(OCCCO)n1
InChIInChI=1S/C8H13N3O2/c1-9-8-10-4-3-7(11-8)13-6-2-5-12/h3-4,12H,2,5-6H2,1H3,(H,9,10,11)
InChIKeyHMVNSBQNMKGYJS-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.28
Rot. Bonds5

About 3-[2-(methylamino)pyrimidin-4-yl]oxypropan-1-ol

3-[2-(methylamino)pyrimidin-4-yl]oxypropan-1-ol (PubChem CID 80865476) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-[2-(methylamino)pyrimidin-4-yl]oxypropan-1-ol.

Molecular Properties

Compound Name3-[2-(methylamino)pyrimidin-4-yl]oxypropan-1-ol
PubChem CID80865476
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name3-[2-(methylamino)pyrimidin-4-yl]oxypropan-1-ol
SMILESCNc1nccc(OCCCO)n1
InChIInChI=1S/C8H13N3O2/c1-9-8-10-4-3-7(11-8)13-6-2-5-12/h3-4,12H,2,5-6H2,1H3,(H,9,10,11)
InChIKeyHMVNSBQNMKGYJS-UHFFFAOYSA-N
XLogP0.28
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-2-amine
CID 104568221
N-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrimidin-2-amine
CID 106451393
2-[2-(propylamino)pyrimidin-4-yl]oxyethanol
CID 80860272
4-butoxy-N-ethylpyrimidin-2-amine
CID 80865329
3-[(4-propoxypyrimidin-2-yl)amino]butan-1-ol
CID 112638477
4-[(4-chlorophenyl)methoxy]-N-methylpyrimidin-2-amine
CID 80877014
4-[(2-fluorophenyl)methoxy]-N-methylpyrimidin-2-amine
CID 80876879
4-(4-ethoxyphenoxy)-N-methylpyrimidin-2-amine
CID 80862377
4-(2-methoxyphenoxy)-N-methylpyrimidin-2-amine
CID 80869209
(4-heptoxypyrimidin-2-yl)hydrazine
CID 80910870
3-[[2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 80811129
[1-[(4-propoxypyrimidin-2-yl)amino]cyclohexyl]methanol
CID 112637519

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylamino)pyrimidin-4-yl]oxypropan-1-ol?
The IUPAC name of 3-[2-(methylamino)pyrimidin-4-yl]oxypropan-1-ol (CID 80865476) is 3-[2-(methylamino)pyrimidin-4-yl]oxypropan-1-ol.
What is the SMILES notation for 3-[2-(methylamino)pyrimidin-4-yl]oxypropan-1-ol?
The canonical SMILES for 3-[2-(methylamino)pyrimidin-4-yl]oxypropan-1-ol is CNc1nccc(OCCCO)n1.
What is the InChIKey of 3-[2-(methylamino)pyrimidin-4-yl]oxypropan-1-ol?
The InChIKey is HMVNSBQNMKGYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-9-8-10-4-3-7(11-8)13-6-2-5-12/h3-4,12H,2,5-6H2,1H3,(H,9,10,11).
What are the key properties of 3-[2-(methylamino)pyrimidin-4-yl]oxypropan-1-ol?
3-[2-(methylamino)pyrimidin-4-yl]oxypropan-1-ol has a molecular weight of 183.21 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)pyrimidin-4-yl]oxypropan-1-ol is sourced from PubChem (CID 80865476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).