N-(1-pyrimidin-5-ylethyl)but-2-yn-1-amine

C10H13N3 — CID 130668721

IUPACN-(1-pyrimidin-5-ylethyl)but-2-yn-1-amine
SMILESCC#CCNC(C)c1cncnc1
InChIInChI=1S/C10H13N3/c1-3-4-5-13-9(2)10-6-11-8-12-7-10/h6-9,13H,5H2,1-2H3
InChIKeyXULLPPIEKWKCEZ-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.15
Rot. Bonds3

About N-(1-pyrimidin-5-ylethyl)but-2-yn-1-amine

N-(1-pyrimidin-5-ylethyl)but-2-yn-1-amine (PubChem CID 130668721) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is N-(1-pyrimidin-5-ylethyl)but-2-yn-1-amine.

Molecular Properties

Compound NameN-(1-pyrimidin-5-ylethyl)but-2-yn-1-amine
PubChem CID130668721
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC NameN-(1-pyrimidin-5-ylethyl)but-2-yn-1-amine
SMILESCC#CCNC(C)c1cncnc1
InChIInChI=1S/C10H13N3/c1-3-4-5-13-9(2)10-6-11-8-12-7-10/h6-9,13H,5H2,1-2H3
InChIKeyXULLPPIEKWKCEZ-UHFFFAOYSA-N
XLogP1.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.15
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-pyrimidin-5-ylpent-3-yn-1-amine
CID 102923310
N-[1-(3,5-difluorophenyl)ethyl]but-2-yn-1-amine
CID 115897018
N-[1-(3,4,5-trifluorophenyl)ethyl]but-2-yn-1-amine
CID 115897017
N-[1-(3-fluoro-4-pyridinyl)ethyl]but-2-yn-1-amine
CID 130616226
N-but-2-ynyl-2-methyl-1-pyridin-3-ylpropan-1-amine
CID 115898770
N-[(1S)-1-pyridin-4-ylethyl]pent-3-yn-1-amine
CID 104807399
N-[(1R)-1-(3-chlorophenyl)ethyl]but-2-yn-1-amine
CID 81372663
N-(1-naphthalen-2-ylethyl)but-2-yn-1-amine
CID 113341996
N-[1-(5-chloro-2-pyridinyl)ethyl]but-2-yn-1-amine
CID 131086161
N-[1-(5-fluoro-2-pyridinyl)ethyl]but-2-yn-1-amine
CID 115896973
N-[1-(3,5-dimethylphenyl)ethyl]pent-3-yn-1-amine
CID 104758095
N-[(1R)-1-(3-methoxyphenyl)ethyl]but-2-yn-1-amine
CID 81372969

Frequently Asked Questions

What is the IUPAC name of N-(1-pyrimidin-5-ylethyl)but-2-yn-1-amine?
The IUPAC name of N-(1-pyrimidin-5-ylethyl)but-2-yn-1-amine (CID 130668721) is N-(1-pyrimidin-5-ylethyl)but-2-yn-1-amine.
What is the SMILES notation for N-(1-pyrimidin-5-ylethyl)but-2-yn-1-amine?
The canonical SMILES for N-(1-pyrimidin-5-ylethyl)but-2-yn-1-amine is CC#CCNC(C)c1cncnc1.
What is the InChIKey of N-(1-pyrimidin-5-ylethyl)but-2-yn-1-amine?
The InChIKey is XULLPPIEKWKCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-3-4-5-13-9(2)10-6-11-8-12-7-10/h6-9,13H,5H2,1-2H3.
What are the key properties of N-(1-pyrimidin-5-ylethyl)but-2-yn-1-amine?
N-(1-pyrimidin-5-ylethyl)but-2-yn-1-amine has a molecular weight of 175.23 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrimidin-5-ylethyl)but-2-yn-1-amine is sourced from PubChem (CID 130668721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).