6-chloro-5-ethyl-N-pent-4-ynylpyrimidin-4-amine

C11H14ClN3 — CID 106223062

IUPAC6-chloro-5-ethyl-N-pent-4-ynylpyrimidin-4-amine
SMILESC#CCCCNc1ncnc(Cl)c1CC
InChIInChI=1S/C11H14ClN3/c1-3-5-6-7-13-11-9(4-2)10(12)14-8-15-11/h1,8H,4-7H2,2H3,(H,13,14,15)
InChIKeyNUVCQUQASFEPSD-UHFFFAOYSA-N
MW223.71 g/mol
LogP2.52
Rot. Bonds5

About 6-chloro-5-ethyl-N-pent-4-ynylpyrimidin-4-amine

6-chloro-5-ethyl-N-pent-4-ynylpyrimidin-4-amine (PubChem CID 106223062) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 6-chloro-5-ethyl-N-pent-4-ynylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-ethyl-N-pent-4-ynylpyrimidin-4-amine
PubChem CID106223062
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name6-chloro-5-ethyl-N-pent-4-ynylpyrimidin-4-amine
SMILESC#CCCCNc1ncnc(Cl)c1CC
InChIInChI=1S/C11H14ClN3/c1-3-5-6-7-13-11-9(4-2)10(12)14-8-15-11/h1,8H,4-7H2,2H3,(H,13,14,15)
InChIKeyNUVCQUQASFEPSD-UHFFFAOYSA-N
XLogP2.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-chloro-5-ethyl-N-pent-4-ynylpyrimidin-4-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

5-bromo-6-chloro-N-hex-5-ynylpyrimidin-4-amine
CID 106214657
N-(6-chloro-5-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 55229294
2-[3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]propoxy]ethanol
CID 106311213
6-chloro-5-ethyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 106013674
6-chloro-5-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 79350090
4-[(6-chloro-5-ethylpyrimidin-4-yl)amino]butan-2-ol
CID 64912142
6-ethyl-5-fluoro-N-hex-5-ynylpyrimidin-4-amine
CID 103880373
6-chloro-5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 63729586
6-chloro-2-ethyl-5-methyl-N-pent-4-ynylpyrimidin-4-amine
CID 103724872
N-[2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 113481443
6-chloro-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine
CID 63728744
6-chloro-5-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
CID 63826299

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethyl-N-pent-4-ynylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-ethyl-N-pent-4-ynylpyrimidin-4-amine (CID 106223062) is 6-chloro-5-ethyl-N-pent-4-ynylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-ethyl-N-pent-4-ynylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-ethyl-N-pent-4-ynylpyrimidin-4-amine is C#CCCCNc1ncnc(Cl)c1CC.
What is the InChIKey of 6-chloro-5-ethyl-N-pent-4-ynylpyrimidin-4-amine?
The InChIKey is NUVCQUQASFEPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c1-3-5-6-7-13-11-9(4-2)10(12)14-8-15-11/h1,8H,4-7H2,2H3,(H,13,14,15).
What are the key properties of 6-chloro-5-ethyl-N-pent-4-ynylpyrimidin-4-amine?
6-chloro-5-ethyl-N-pent-4-ynylpyrimidin-4-amine has a molecular weight of 223.71 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethyl-N-pent-4-ynylpyrimidin-4-amine is sourced from PubChem (CID 106223062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).