6-ethyl-N-hex-5-yn-3-ylpyrimidin-4-amine

C12H17N3 — CID 115657894

IUPAC6-ethyl-N-hex-5-yn-3-ylpyrimidin-4-amine
SMILESC#CCC(CC)Nc1cc(CC)ncn1
InChIInChI=1S/C12H17N3/c1-4-7-10(5-2)15-12-8-11(6-3)13-9-14-12/h1,8-10H,5-7H2,2-3H3,(H,13,14,15)
InChIKeyCMDNTGAZDNQLJF-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.25
Rot. Bonds5

About 6-ethyl-N-hex-5-yn-3-ylpyrimidin-4-amine

6-ethyl-N-hex-5-yn-3-ylpyrimidin-4-amine (PubChem CID 115657894) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 6-ethyl-N-hex-5-yn-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-hex-5-yn-3-ylpyrimidin-4-amine
PubChem CID115657894
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name6-ethyl-N-hex-5-yn-3-ylpyrimidin-4-amine
SMILESC#CCC(CC)Nc1cc(CC)ncn1
InChIInChI=1S/C12H17N3/c1-4-7-10(5-2)15-12-8-11(6-3)13-9-14-12/h1,8-10H,5-7H2,2-3H3,(H,13,14,15)
InChIKeyCMDNTGAZDNQLJF-UHFFFAOYSA-N
XLogP2.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.25
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-ethyl-N-(1-fluoropropan-2-yl)pyrimidin-4-amine
CID 130875143
6-ethyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-4-amine
CID 115637622
N-pent-1-yn-3-yl-6-propylpyrimidin-4-amine
CID 106231185
N-(1-chloro-4-methylpentan-2-yl)-6-ethylpyrimidin-4-amine
CID 65029445
N-(3,3-dimethylbutan-2-yl)-6-ethylpyrimidin-4-amine
CID 115685847
3-[(6-ethylpyrimidin-4-yl)amino]butan-1-ol
CID 78997265
5-chloro-N-hex-5-yn-3-ylpyridin-2-amine
CID 115658807
6-chloro-N-hex-5-yn-3-yl-2-methylpyrimidin-4-amine
CID 103703612
N-(1-cyclohexylpropyl)-6-ethylpyrimidin-4-amine
CID 63541689
6-chloro-N-hex-5-yn-3-ylpyridin-2-amine
CID 106195659
6-methoxy-N-pentan-3-ylpyrimidin-4-amine
CID 66325775
6-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine
CID 106972535

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-hex-5-yn-3-ylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-hex-5-yn-3-ylpyrimidin-4-amine (CID 115657894) is 6-ethyl-N-hex-5-yn-3-ylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-hex-5-yn-3-ylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-hex-5-yn-3-ylpyrimidin-4-amine is C#CCC(CC)Nc1cc(CC)ncn1.
What is the InChIKey of 6-ethyl-N-hex-5-yn-3-ylpyrimidin-4-amine?
The InChIKey is CMDNTGAZDNQLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-4-7-10(5-2)15-12-8-11(6-3)13-9-14-12/h1,8-10H,5-7H2,2-3H3,(H,13,14,15).
What are the key properties of 6-ethyl-N-hex-5-yn-3-ylpyrimidin-4-amine?
6-ethyl-N-hex-5-yn-3-ylpyrimidin-4-amine has a molecular weight of 203.29 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-hex-5-yn-3-ylpyrimidin-4-amine is sourced from PubChem (CID 115657894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).