2-cyclopropyl-5-methyl-6-(3-methylbut-3-enoxy)-N-propylpyrimidin-4-amine

C16H25N3O — CID 114471119

IUPAC2-cyclopropyl-5-methyl-6-(3-methylbut-3-enoxy)-N-propylpyrimidin-4-amine
SMILESC=C(C)CCOc1nc(C2CC2)nc(NCCC)c1C
InChIInChI=1S/C16H25N3O/c1-5-9-17-14-12(4)16(20-10-8-11(2)3)19-15(18-14)13-6-7-13/h13H,2,5-10H2,1,3-4H3,(H,17,18,19)
InChIKeyORLHJGWYGYPNHM-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.83
Rot. Bonds8

About 2-cyclopropyl-5-methyl-6-(3-methylbut-3-enoxy)-N-propylpyrimidin-4-amine

2-cyclopropyl-5-methyl-6-(3-methylbut-3-enoxy)-N-propylpyrimidin-4-amine (PubChem CID 114471119) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-cyclopropyl-5-methyl-6-(3-methylbut-3-enoxy)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-5-methyl-6-(3-methylbut-3-enoxy)-N-propylpyrimidin-4-amine
PubChem CID114471119
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-cyclopropyl-5-methyl-6-(3-methylbut-3-enoxy)-N-propylpyrimidin-4-amine
SMILESC=C(C)CCOc1nc(C2CC2)nc(NCCC)c1C
InChIInChI=1S/C16H25N3O/c1-5-9-17-14-12(4)16(20-10-8-11(2)3)19-15(18-14)13-6-7-13/h13H,2,5-10H2,1,3-4H3,(H,17,18,19)
InChIKeyORLHJGWYGYPNHM-UHFFFAOYSA-N
XLogP3.83
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-cyclopropyl-5-methyl-6-(3-methylbut-3-enoxy)pyrimidine
CID 114470154
2-cyclopropyl-N-ethyl-5-methyl-6-propoxypyrimidin-4-amine
CID 80988977
6-cyclobutyloxy-2-cyclopropyl-5-methyl-N-propylpyrimidin-4-amine
CID 80991023
2-cyclopropyl-6-[2-(dimethylamino)ethoxy]-N-ethyl-5-methylpyrimidin-4-amine
CID 80988193
2-cyclopropyl-5-methyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine
CID 102989575
2-cyclopropyl-6-(2-cyclopropylethoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 106207562
2-cyclopropyl-5-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine
CID 80988938
2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylbutoxy)pyrimidin-4-amine
CID 80989739
2-cyclopropyl-N,5-dimethyl-6-pentoxypyrimidin-4-amine
CID 80988065
2-cyclopropyl-6-hydrazinyl-5-methyl-N-propylpyrimidin-4-amine
CID 81000575
2-cyclopropyl-6-(1-ethoxypropan-2-yloxy)-5-methyl-N-propylpyrimidin-4-amine
CID 103491719
2-tert-butyl-N-ethyl-5-methyl-6-(3-methylbut-3-enoxy)pyrimidin-4-amine
CID 114471120

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-methyl-6-(3-methylbut-3-enoxy)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-5-methyl-6-(3-methylbut-3-enoxy)-N-propylpyrimidin-4-amine (CID 114471119) is 2-cyclopropyl-5-methyl-6-(3-methylbut-3-enoxy)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-5-methyl-6-(3-methylbut-3-enoxy)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-5-methyl-6-(3-methylbut-3-enoxy)-N-propylpyrimidin-4-amine is C=C(C)CCOc1nc(C2CC2)nc(NCCC)c1C.
What is the InChIKey of 2-cyclopropyl-5-methyl-6-(3-methylbut-3-enoxy)-N-propylpyrimidin-4-amine?
The InChIKey is ORLHJGWYGYPNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-5-9-17-14-12(4)16(20-10-8-11(2)3)19-15(18-14)13-6-7-13/h13H,2,5-10H2,1,3-4H3,(H,17,18,19).
What are the key properties of 2-cyclopropyl-5-methyl-6-(3-methylbut-3-enoxy)-N-propylpyrimidin-4-amine?
2-cyclopropyl-5-methyl-6-(3-methylbut-3-enoxy)-N-propylpyrimidin-4-amine has a molecular weight of 275.40 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-methyl-6-(3-methylbut-3-enoxy)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 114471119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).