N-but-2-ynyl-5-methylpyrimidin-2-amine

C9H11N3 — CID 115903936

IUPACN-but-2-ynyl-5-methylpyrimidin-2-amine
SMILESCC#CCNc1ncc(C)cn1
InChIInChI=1S/C9H11N3/c1-3-4-5-10-9-11-6-8(2)7-12-9/h6-7H,5H2,1-2H3,(H,10,11,12)
InChIKeyPWBHZLXPQSTIIV-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.22
Rot. Bonds2

About N-but-2-ynyl-5-methylpyrimidin-2-amine

N-but-2-ynyl-5-methylpyrimidin-2-amine (PubChem CID 115903936) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is N-but-2-ynyl-5-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-but-2-ynyl-5-methylpyrimidin-2-amine
PubChem CID115903936
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC NameN-but-2-ynyl-5-methylpyrimidin-2-amine
SMILESCC#CCNc1ncc(C)cn1
InChIInChI=1S/C9H11N3/c1-3-4-5-10-9-11-6-8(2)7-12-9/h6-7H,5H2,1-2H3,(H,10,11,12)
InChIKeyPWBHZLXPQSTIIV-UHFFFAOYSA-N
XLogP1.22
TPSA37.81 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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-but-2-ynyl-5-methylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-but-2-ynyl-5-nitropyrimidin-2-amine
CID 104626226
2-[(5-methylpyrimidin-2-yl)amino]ethanethiol
CID 116975357
N-(2,3-dimethylbutyl)-5-methylpyrimidin-2-amine
CID 64597150
2-N,2-dimethyl-1-N-(5-methylpyrimidin-2-yl)propane-1,2-diamine
CID 116975426
5-methyl-N-octylpyrimidin-2-amine
CID 115568974
5-methyl-N-pent-3-ynylpyridin-2-amine
CID 116644488
1-[[(5-methylpyrimidin-2-yl)amino]methyl]cycloheptan-1-ol
CID 65122534
5-methyl-N-(2-methylidenebutyl)pyrimidin-2-amine
CID 126987115
5-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-2-amine
CID 63207979
2,2-dimethyl-3-[(5-methylpyrimidin-2-yl)amino]propanoic acid
CID 115427683
5-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine
CID 79563360
N-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]acetamide
CID 63207920

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-5-methylpyrimidin-2-amine?
The IUPAC name of N-but-2-ynyl-5-methylpyrimidin-2-amine (CID 115903936) is N-but-2-ynyl-5-methylpyrimidin-2-amine.
What is the SMILES notation for N-but-2-ynyl-5-methylpyrimidin-2-amine?
The canonical SMILES for N-but-2-ynyl-5-methylpyrimidin-2-amine is CC#CCNc1ncc(C)cn1.
What is the InChIKey of N-but-2-ynyl-5-methylpyrimidin-2-amine?
The InChIKey is PWBHZLXPQSTIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-3-4-5-10-9-11-6-8(2)7-12-9/h6-7H,5H2,1-2H3,(H,10,11,12).
What are the key properties of N-but-2-ynyl-5-methylpyrimidin-2-amine?
N-but-2-ynyl-5-methylpyrimidin-2-amine has a molecular weight of 161.21 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-5-methylpyrimidin-2-amine is sourced from PubChem (CID 115903936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).