1-pyrimidin-5-ylpent-3-yn-1-amine

C9H11N3 — CID 102923310

IUPAC1-pyrimidin-5-ylpent-3-yn-1-amine
SMILESCC#CCC(N)c1cncnc1
InChIInChI=1S/C9H11N3/c1-2-3-4-9(10)8-5-11-7-12-6-8/h5-7,9H,4,10H2,1H3
InChIKeyMVYBQFCRSQVQBF-UHFFFAOYSA-N
MW161.21 g/mol
LogP0.89
Rot. Bonds2

About 1-pyrimidin-5-ylpent-3-yn-1-amine

1-pyrimidin-5-ylpent-3-yn-1-amine (PubChem CID 102923310) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 1-pyrimidin-5-ylpent-3-yn-1-amine.

Molecular Properties

Compound Name1-pyrimidin-5-ylpent-3-yn-1-amine
PubChem CID102923310
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name1-pyrimidin-5-ylpent-3-yn-1-amine
SMILESCC#CCC(N)c1cncnc1
InChIInChI=1S/C9H11N3/c1-2-3-4-9(10)8-5-11-7-12-6-8/h5-7,9H,4,10H2,1H3
InChIKeyMVYBQFCRSQVQBF-UHFFFAOYSA-N
XLogP0.89
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-pyridin-4-ylpent-3-yn-1-amine
CID 62311977
N-(1-pyrimidin-5-ylethyl)but-2-yn-1-amine
CID 130668721
1-(3,5-dimethylphenyl)pent-3-yn-1-amine
CID 115819144
3-methyl-1-pyrimidin-5-ylpentan-1-amine
CID 115827442
1-(4-iodophenyl)pent-3-yn-1-amine
CID 115819140
1-pyrimidin-5-ylbut-3-en-1-amine
CID 55296439
di(pyrimidin-5-yl)methanamine
CID 102923336
1-(5-methyl-3-pyridinyl)hex-4-yn-1-amine
CID 105181558
1-(1,5-dimethylpyrazol-4-yl)pent-3-yn-1-amine
CID 105112423
(1S)-2-cyclopropyl-1-pyrimidin-5-ylethanamine
CID 130642514
1-(3-chloro-4-fluorophenyl)pent-3-yn-1-amine
CID 63093128
1-(3,4,5-triethoxyphenyl)pent-3-yn-1-amine
CID 115819903

Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-5-ylpent-3-yn-1-amine?
The IUPAC name of 1-pyrimidin-5-ylpent-3-yn-1-amine (CID 102923310) is 1-pyrimidin-5-ylpent-3-yn-1-amine.
What is the SMILES notation for 1-pyrimidin-5-ylpent-3-yn-1-amine?
The canonical SMILES for 1-pyrimidin-5-ylpent-3-yn-1-amine is CC#CCC(N)c1cncnc1.
What is the InChIKey of 1-pyrimidin-5-ylpent-3-yn-1-amine?
The InChIKey is MVYBQFCRSQVQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-2-3-4-9(10)8-5-11-7-12-6-8/h5-7,9H,4,10H2,1H3.
What are the key properties of 1-pyrimidin-5-ylpent-3-yn-1-amine?
1-pyrimidin-5-ylpent-3-yn-1-amine has a molecular weight of 161.21 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-5-ylpent-3-yn-1-amine is sourced from PubChem (CID 102923310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).