6-chloro-N-hex-5-yn-3-yl-2-methylpyrimidin-4-amine

C11H14ClN3 — CID 103703612

IUPAC6-chloro-N-hex-5-yn-3-yl-2-methylpyrimidin-4-amine
SMILESC#CCC(CC)Nc1cc(Cl)nc(C)n1
InChIInChI=1S/C11H14ClN3/c1-4-6-9(5-2)15-11-7-10(12)13-8(3)14-11/h1,7,9H,5-6H2,2-3H3,(H,13,14,15)
InChIKeyZOHPYOXUCUHDTE-UHFFFAOYSA-N
MW223.71 g/mol
LogP2.65
Rot. Bonds4

About 6-chloro-N-hex-5-yn-3-yl-2-methylpyrimidin-4-amine

6-chloro-N-hex-5-yn-3-yl-2-methylpyrimidin-4-amine (PubChem CID 103703612) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 6-chloro-N-hex-5-yn-3-yl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-hex-5-yn-3-yl-2-methylpyrimidin-4-amine
PubChem CID103703612
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name6-chloro-N-hex-5-yn-3-yl-2-methylpyrimidin-4-amine
SMILESC#CCC(CC)Nc1cc(Cl)nc(C)n1
InChIInChI=1S/C11H14ClN3/c1-4-6-9(5-2)15-11-7-10(12)13-8(3)14-11/h1,7,9H,5-6H2,2-3H3,(H,13,14,15)
InChIKeyZOHPYOXUCUHDTE-UHFFFAOYSA-N
XLogP2.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.65
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

6-chloro-2-methyl-N-pent-4-yn-2-ylpyrimidin-4-amine
CID 103705061
N-[(2S)-butan-2-yl]-6-chloro-2-methylpyrimidin-4-amine
CID 94454151
6-chloro-N-hex-5-yn-3-ylpyridin-2-amine
CID 106195659
5-chloro-N-hex-5-yn-3-ylpyridin-2-amine
CID 115658807
3,5,6-trichloro-N-hex-5-yn-3-ylpyridin-2-amine
CID 106195652
6-chloro-2-ethyl-N-pentan-3-ylpyrimidin-4-amine
CID 80944320
6-ethyl-N-hex-5-yn-3-ylpyrimidin-4-amine
CID 115657894
N-(1-chlorobutan-2-yl)-6-ethoxy-2-methylpyrimidin-4-amine
CID 66331918
6-chloro-2-cyclopropyl-N-pentan-3-ylpyrimidin-4-amine
CID 80948003
6-chloro-N-pent-1-yn-3-yl-2-propan-2-ylpyrimidin-4-amine
CID 106232756
2-[(2,6-dimethylpyrimidin-4-yl)amino]butan-1-ol
CID 60725889
5-chloro-N-hex-5-yn-3-yl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106195677

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-hex-5-yn-3-yl-2-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-hex-5-yn-3-yl-2-methylpyrimidin-4-amine (CID 103703612) is 6-chloro-N-hex-5-yn-3-yl-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-hex-5-yn-3-yl-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-hex-5-yn-3-yl-2-methylpyrimidin-4-amine is C#CCC(CC)Nc1cc(Cl)nc(C)n1.
What is the InChIKey of 6-chloro-N-hex-5-yn-3-yl-2-methylpyrimidin-4-amine?
The InChIKey is ZOHPYOXUCUHDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c1-4-6-9(5-2)15-11-7-10(12)13-8(3)14-11/h1,7,9H,5-6H2,2-3H3,(H,13,14,15).
What are the key properties of 6-chloro-N-hex-5-yn-3-yl-2-methylpyrimidin-4-amine?
6-chloro-N-hex-5-yn-3-yl-2-methylpyrimidin-4-amine has a molecular weight of 223.71 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-hex-5-yn-3-yl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 103703612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).