2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylbutoxy)pyrimidin-4-amine

C15H25N3O — CID 80989739

IUPAC2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylbutoxy)pyrimidin-4-amine
SMILESCCNc1nc(C2CC2)nc(OCCC(C)C)c1C
InChIInChI=1S/C15H25N3O/c1-5-16-13-11(4)15(19-9-8-10(2)3)18-14(17-13)12-6-7-12/h10,12H,5-9H2,1-4H3,(H,16,17,18)
InChIKeyAZCYBZDSSAVYAP-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.52
Rot. Bonds7

About 2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylbutoxy)pyrimidin-4-amine

2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylbutoxy)pyrimidin-4-amine (PubChem CID 80989739) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylbutoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylbutoxy)pyrimidin-4-amine
PubChem CID80989739
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylbutoxy)pyrimidin-4-amine
SMILESCCNc1nc(C2CC2)nc(OCCC(C)C)c1C
InChIInChI=1S/C15H25N3O/c1-5-16-13-11(4)15(19-9-8-10(2)3)18-14(17-13)12-6-7-12/h10,12H,5-9H2,1-4H3,(H,16,17,18)
InChIKeyAZCYBZDSSAVYAP-UHFFFAOYSA-N
XLogP3.52
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-ethyl-5-methyl-6-propoxypyrimidin-4-amine
CID 80988977
2-cyclopropyl-N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]pyrimidin-4-amine
CID 106451543
2-cyclopropyl-6-(2-cyclopropylethoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 106207562
2-cyclopropyl-6-[2-(dimethylamino)ethoxy]-N-ethyl-5-methylpyrimidin-4-amine
CID 80988193
2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylpropyl)pyrimidin-4-amine
CID 80977208
2-cyclopropyl-N,5-dimethyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine
CID 80989314
2-cyclopropyl-4-N-(2,3-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80985256
2-cyclopropyl-N,5-dimethyl-6-pentoxypyrimidin-4-amine
CID 80988065
2-cyclopropyl-5-methyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine
CID 102989575
2-cyclopropyl-5-methyl-6-(3-methylbut-3-enoxy)-N-propylpyrimidin-4-amine
CID 114471119
5-methyl-6-(3-methylbutoxy)-N,2-dipropylpyrimidin-4-amine
CID 80989305
4-N-butan-2-yl-2-cyclopropyl-4-N,6-N-diethyl-5-methylpyrimidine-4,6-diamine
CID 80994035

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylbutoxy)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylbutoxy)pyrimidin-4-amine (CID 80989739) is 2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylbutoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylbutoxy)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylbutoxy)pyrimidin-4-amine is CCNc1nc(C2CC2)nc(OCCC(C)C)c1C.
What is the InChIKey of 2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylbutoxy)pyrimidin-4-amine?
The InChIKey is AZCYBZDSSAVYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-16-13-11(4)15(19-9-8-10(2)3)18-14(17-13)12-6-7-12/h10,12H,5-9H2,1-4H3,(H,16,17,18).
What are the key properties of 2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylbutoxy)pyrimidin-4-amine?
2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylbutoxy)pyrimidin-4-amine has a molecular weight of 263.38 g/mol, XLogP of 3.52, 7 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-(3-methylbutoxy)pyrimidin-4-amine is sourced from PubChem (CID 80989739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).