2-cyclopropyl-N-ethyl-5-methyl-6-propoxypyrimidin-4-amine

C13H21N3O — CID 80988977

IUPAC2-cyclopropyl-N-ethyl-5-methyl-6-propoxypyrimidin-4-amine
SMILESCCCOc1nc(C2CC2)nc(NCC)c1C
InChIInChI=1S/C13H21N3O/c1-4-8-17-13-9(3)11(14-5-2)15-12(16-13)10-6-7-10/h10H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyKTZIJIOXSMAGLA-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.88
Rot. Bonds6

About 2-cyclopropyl-N-ethyl-5-methyl-6-propoxypyrimidin-4-amine

2-cyclopropyl-N-ethyl-5-methyl-6-propoxypyrimidin-4-amine (PubChem CID 80988977) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-5-methyl-6-propoxypyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-5-methyl-6-propoxypyrimidin-4-amine
PubChem CID80988977
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-cyclopropyl-N-ethyl-5-methyl-6-propoxypyrimidin-4-amine
SMILESCCCOc1nc(C2CC2)nc(NCC)c1C
InChIInChI=1S/C13H21N3O/c1-4-8-17-13-9(3)11(14-5-2)15-12(16-13)10-6-7-10/h10H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyKTZIJIOXSMAGLA-UHFFFAOYSA-N
XLogP2.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-6-(2-cyclopropylethoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 106207562
2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylbutoxy)pyrimidin-4-amine
CID 80989739
2-cyclopropyl-6-[2-(dimethylamino)ethoxy]-N-ethyl-5-methylpyrimidin-4-amine
CID 80988193
2-cyclopropyl-N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]pyrimidin-4-amine
CID 106451543
2-cyclopropyl-N,5-dimethyl-6-pentoxypyrimidin-4-amine
CID 80988065
2-cyclopropyl-5-methyl-6-(3-methylbut-3-enoxy)-N-propylpyrimidin-4-amine
CID 114471119
N,2-diethyl-5-methyl-6-propoxypyrimidin-4-amine
CID 80989328
4-N-butyl-2-cyclopropyl-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80981195
2-cyclohexyl-N-ethyl-5-nitro-6-propoxypyrimidin-4-amine
CID 82458455
2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine
CID 80983688
2-cyclopropyl-6-N-ethyl-4-N-(2-methoxyethyl)-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80986849
2-cyclopropyl-6-N-ethyl-4-N-hexyl-5-methylpyrimidine-4,6-diamine
CID 80985625

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-5-methyl-6-propoxypyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-ethyl-5-methyl-6-propoxypyrimidin-4-amine (CID 80988977) is 2-cyclopropyl-N-ethyl-5-methyl-6-propoxypyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-5-methyl-6-propoxypyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-5-methyl-6-propoxypyrimidin-4-amine is CCCOc1nc(C2CC2)nc(NCC)c1C.
What is the InChIKey of 2-cyclopropyl-N-ethyl-5-methyl-6-propoxypyrimidin-4-amine?
The InChIKey is KTZIJIOXSMAGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-8-17-13-9(3)11(14-5-2)15-12(16-13)10-6-7-10/h10H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of 2-cyclopropyl-N-ethyl-5-methyl-6-propoxypyrimidin-4-amine?
2-cyclopropyl-N-ethyl-5-methyl-6-propoxypyrimidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-5-methyl-6-propoxypyrimidin-4-amine is sourced from PubChem (CID 80988977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).