3-(2-aminopyrimidin-4-yl)prop-2-yn-1-ol

C7H7N3O — CID 169484687

IUPAC3-(2-aminopyrimidin-4-yl)prop-2-yn-1-ol
SMILESNc1nccc(C#CCO)n1
InChIInChI=1S/C7H7N3O/c8-7-9-4-3-6(10-7)2-1-5-11/h3-4,11H,5H2,(H2,8,9,10)
InChIKeyQUSBVBOBSSMCBU-UHFFFAOYSA-N
MW149.15 g/mol
LogP-0.60
Rot. Bonds

About 3-(2-aminopyrimidin-4-yl)prop-2-yn-1-ol

3-(2-aminopyrimidin-4-yl)prop-2-yn-1-ol (PubChem CID 169484687) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 3-(2-aminopyrimidin-4-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-(2-aminopyrimidin-4-yl)prop-2-yn-1-ol
PubChem CID169484687
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name3-(2-aminopyrimidin-4-yl)prop-2-yn-1-ol
SMILESNc1nccc(C#CCO)n1
InChIInChI=1S/C7H7N3O/c8-7-9-4-3-6(10-7)2-1-5-11/h3-4,11H,5H2,(H2,8,9,10)
InChIKeyQUSBVBOBSSMCBU-UHFFFAOYSA-N
XLogP-0.60
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorobut-1-ynyl)pyrimidin-2-amine
CID 170467333
3-(5,6-diaminopyrazin-2-yl)prop-2-yn-1-ol
CID 169484738
2-(2-aminopyrimidin-4-yl)ethanol
CID 22444209
3-(3-amino-2-pyridinyl)prop-2-yn-1-ol
CID 169484651
3-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]prop-2-yn-1-ol
CID 169485542
3-(5-bromo-6-methyl-2-pyridinyl)prop-2-yn-1-ol
CID 146448453
3-(2-chloro-4-methyl-3-pyridinyl)prop-2-yn-1-ol
CID 169484802
2-(2-aminopyrimidin-4-yl)sulfanylethanol
CID 80884824
3-(2-chloro-4-pyridinyl)prop-2-yn-1-ol
CID 169484666
3-(4-aminophenyl)prop-2-yn-1-ol
CID 23345652
5-(4-amino-2-pyridinyl)pent-4-yn-1-ol
CID 122243018
3-(5-methylsulfanyl-2-pyridinyl)prop-2-yn-1-ol
CID 139335443

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopyrimidin-4-yl)prop-2-yn-1-ol?
The IUPAC name of 3-(2-aminopyrimidin-4-yl)prop-2-yn-1-ol (CID 169484687) is 3-(2-aminopyrimidin-4-yl)prop-2-yn-1-ol.
What is the SMILES notation for 3-(2-aminopyrimidin-4-yl)prop-2-yn-1-ol?
The canonical SMILES for 3-(2-aminopyrimidin-4-yl)prop-2-yn-1-ol is Nc1nccc(C#CCO)n1.
What is the InChIKey of 3-(2-aminopyrimidin-4-yl)prop-2-yn-1-ol?
The InChIKey is QUSBVBOBSSMCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c8-7-9-4-3-6(10-7)2-1-5-11/h3-4,11H,5H2,(H2,8,9,10).
What are the key properties of 3-(2-aminopyrimidin-4-yl)prop-2-yn-1-ol?
3-(2-aminopyrimidin-4-yl)prop-2-yn-1-ol has a molecular weight of 149.15 g/mol, XLogP of -0.60, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopyrimidin-4-yl)prop-2-yn-1-ol is sourced from PubChem (CID 169484687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).