N-methyl-1-pyrimidin-4-ylpent-4-yn-1-amine

C10H13N3 — CID 63988752

IUPACN-methyl-1-pyrimidin-4-ylpent-4-yn-1-amine
SMILESC#CCCC(NC)c1ccncn1
InChIInChI=1S/C10H13N3/c1-3-4-5-9(11-2)10-6-7-12-8-13-10/h1,6-9,11H,4-5H2,2H3
InChIKeyMQZODSAUFWUUPL-UHFFFAOYSA-N
MW175.24 g/mol
LogP1.15
Rot. Bonds4

About N-methyl-1-pyrimidin-4-ylpent-4-yn-1-amine

N-methyl-1-pyrimidin-4-ylpent-4-yn-1-amine (PubChem CID 63988752) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is N-methyl-1-pyrimidin-4-ylpent-4-yn-1-amine.

Molecular Properties

Compound NameN-methyl-1-pyrimidin-4-ylpent-4-yn-1-amine
PubChem CID63988752
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC NameN-methyl-1-pyrimidin-4-ylpent-4-yn-1-amine
SMILESC#CCCC(NC)c1ccncn1
InChIInChI=1S/C10H13N3/c1-3-4-5-9(11-2)10-6-7-12-8-13-10/h1,6-9,11H,4-5H2,2H3
InChIKeyMQZODSAUFWUUPL-UHFFFAOYSA-N
XLogP1.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
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

N,3-dimethyl-1-pyrimidin-4-ylhexan-1-amine
CID 63989784
N-but-3-yn-2-yl-1-pyrimidin-4-ylethane-1,2-diamine
CID 114416155
2-(furan-2-yl)-N-methyl-1-pyrimidin-4-ylethanamine
CID 83175333
2-(2,5-dimethylphenyl)-N-methyl-1-pyrimidin-4-ylethanamine
CID 63989159
N-methyl-1-quinolin-8-ylpent-4-yn-1-amine
CID 105148985
N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-pyrimidin-4-ylethanamine
CID 64778037
N-methyl-1-(3-methylimidazol-4-yl)pent-4-yn-1-amine
CID 82903143
N-methyl-1-quinolin-5-ylpent-4-yn-1-amine
CID 105149256
1-pyrimidin-4-yldecylhydrazine
CID 105220997
1-(4-iodophenyl)-N-methylpent-4-yn-1-amine
CID 115859296
N-methyl-1-pyridin-2-ylhept-6-yn-3-amine
CID 105149167
2-(5-bromo-2-methoxyphenyl)-N-methyl-1-pyrimidin-4-ylethanamine
CID 63987280

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyrimidin-4-ylpent-4-yn-1-amine?
The IUPAC name of N-methyl-1-pyrimidin-4-ylpent-4-yn-1-amine (CID 63988752) is N-methyl-1-pyrimidin-4-ylpent-4-yn-1-amine.
What is the SMILES notation for N-methyl-1-pyrimidin-4-ylpent-4-yn-1-amine?
The canonical SMILES for N-methyl-1-pyrimidin-4-ylpent-4-yn-1-amine is C#CCCC(NC)c1ccncn1.
What is the InChIKey of N-methyl-1-pyrimidin-4-ylpent-4-yn-1-amine?
The InChIKey is MQZODSAUFWUUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-3-4-5-9(11-2)10-6-7-12-8-13-10/h1,6-9,11H,4-5H2,2H3.
What are the key properties of N-methyl-1-pyrimidin-4-ylpent-4-yn-1-amine?
N-methyl-1-pyrimidin-4-ylpent-4-yn-1-amine has a molecular weight of 175.24 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyrimidin-4-ylpent-4-yn-1-amine is sourced from PubChem (CID 63988752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).