3-(2,4-dimethoxypyrimidin-5-yl)-N,N-di(propan-2-yl)prop-2-yn-1-amine

C15H23N3O2 — CID 11173478

IUPAC3-(2,4-dimethoxypyrimidin-5-yl)-N,N-di(propan-2-yl)prop-2-yn-1-amine
SMILESCOc1ncc(C#CCN(C(C)C)C(C)C)c(OC)n1
InChIInChI=1S/C15H23N3O2/c1-11(2)18(12(3)4)9-7-8-13-10-16-15(20-6)17-14(13)19-5/h10-12H,9H2,1-6H3
InChIKeyRIXAYLRZNVDRQY-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.96
Rot. Bonds5

About 3-(2,4-dimethoxypyrimidin-5-yl)-N,N-di(propan-2-yl)prop-2-yn-1-amine

3-(2,4-dimethoxypyrimidin-5-yl)-N,N-di(propan-2-yl)prop-2-yn-1-amine (PubChem CID 11173478) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(2,4-dimethoxypyrimidin-5-yl)-N,N-di(propan-2-yl)prop-2-yn-1-amine.

Molecular Properties

Compound Name3-(2,4-dimethoxypyrimidin-5-yl)-N,N-di(propan-2-yl)prop-2-yn-1-amine
PubChem CID11173478
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-(2,4-dimethoxypyrimidin-5-yl)-N,N-di(propan-2-yl)prop-2-yn-1-amine
SMILESCOc1ncc(C#CCN(C(C)C)C(C)C)c(OC)n1
InChIInChI=1S/C15H23N3O2/c1-11(2)18(12(3)4)9-7-8-13-10-16-15(20-6)17-14(13)19-5/h10-12H,9H2,1-6H3
InChIKeyRIXAYLRZNVDRQY-UHFFFAOYSA-N
XLogP1.96
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxypyrimidin-5-yl)-N,N-di(propan-2-yl)prop-2-yn-1-amine?
The IUPAC name of 3-(2,4-dimethoxypyrimidin-5-yl)-N,N-di(propan-2-yl)prop-2-yn-1-amine (CID 11173478) is 3-(2,4-dimethoxypyrimidin-5-yl)-N,N-di(propan-2-yl)prop-2-yn-1-amine.
What is the SMILES notation for 3-(2,4-dimethoxypyrimidin-5-yl)-N,N-di(propan-2-yl)prop-2-yn-1-amine?
The canonical SMILES for 3-(2,4-dimethoxypyrimidin-5-yl)-N,N-di(propan-2-yl)prop-2-yn-1-amine is COc1ncc(C#CCN(C(C)C)C(C)C)c(OC)n1.
What is the InChIKey of 3-(2,4-dimethoxypyrimidin-5-yl)-N,N-di(propan-2-yl)prop-2-yn-1-amine?
The InChIKey is RIXAYLRZNVDRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(2)18(12(3)4)9-7-8-13-10-16-15(20-6)17-14(13)19-5/h10-12H,9H2,1-6H3.
What are the key properties of 3-(2,4-dimethoxypyrimidin-5-yl)-N,N-di(propan-2-yl)prop-2-yn-1-amine?
3-(2,4-dimethoxypyrimidin-5-yl)-N,N-di(propan-2-yl)prop-2-yn-1-amine has a molecular weight of 277.37 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxypyrimidin-5-yl)-N,N-di(propan-2-yl)prop-2-yn-1-amine is sourced from PubChem (CID 11173478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).