2-ethyl-5-methyl-6-(oxolan-2-ylmethoxy)-N-propylpyrimidin-4-amine

C15H25N3O2 — CID 80989749

IUPAC2-ethyl-5-methyl-6-(oxolan-2-ylmethoxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CC)nc(OCC2CCCO2)c1C
InChIInChI=1S/C15H25N3O2/c1-4-8-16-14-11(3)15(18-13(5-2)17-14)20-10-12-7-6-9-19-12/h12H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyBHMBGLIMQZAVTI-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.73
Rot. Bonds7

About 2-ethyl-5-methyl-6-(oxolan-2-ylmethoxy)-N-propylpyrimidin-4-amine

2-ethyl-5-methyl-6-(oxolan-2-ylmethoxy)-N-propylpyrimidin-4-amine (PubChem CID 80989749) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-ethyl-5-methyl-6-(oxolan-2-ylmethoxy)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-5-methyl-6-(oxolan-2-ylmethoxy)-N-propylpyrimidin-4-amine
PubChem CID80989749
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-ethyl-5-methyl-6-(oxolan-2-ylmethoxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CC)nc(OCC2CCCO2)c1C
InChIInChI=1S/C15H25N3O2/c1-4-8-16-14-11(3)15(18-13(5-2)17-14)20-10-12-7-6-9-19-12/h12H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyBHMBGLIMQZAVTI-UHFFFAOYSA-N
XLogP2.73
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(oxolan-2-ylmethoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80859543
2-ethyl-5-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80988030
4-N-(cyclopentylmethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80994212
6-(cyclopropylmethoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80865799
4-N-cycloheptyl-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80985784
2-ethyl-5-methyl-6-(1-methylpiperidin-4-yl)oxy-N-propylpyrimidin-4-amine
CID 80991118
2-ethyl-5-methyl-6-propan-2-yloxy-N-propylpyrimidin-4-amine
CID 80989070
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
N,2-diethyl-5-methyl-6-propoxypyrimidin-4-amine
CID 80989328
N,5-diethyl-6-(oxolan-2-ylmethoxy)pyrimidin-4-amine
CID 80860410
2,5-dimethyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-4-amine
CID 80873297
2-(oxolan-2-ylmethoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62193733

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-6-(oxolan-2-ylmethoxy)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-ethyl-5-methyl-6-(oxolan-2-ylmethoxy)-N-propylpyrimidin-4-amine (CID 80989749) is 2-ethyl-5-methyl-6-(oxolan-2-ylmethoxy)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-5-methyl-6-(oxolan-2-ylmethoxy)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-ethyl-5-methyl-6-(oxolan-2-ylmethoxy)-N-propylpyrimidin-4-amine is CCCNc1nc(CC)nc(OCC2CCCO2)c1C.
What is the InChIKey of 2-ethyl-5-methyl-6-(oxolan-2-ylmethoxy)-N-propylpyrimidin-4-amine?
The InChIKey is BHMBGLIMQZAVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-8-16-14-11(3)15(18-13(5-2)17-14)20-10-12-7-6-9-19-12/h12H,4-10H2,1-3H3,(H,16,17,18).
What are the key properties of 2-ethyl-5-methyl-6-(oxolan-2-ylmethoxy)-N-propylpyrimidin-4-amine?
2-ethyl-5-methyl-6-(oxolan-2-ylmethoxy)-N-propylpyrimidin-4-amine has a molecular weight of 279.38 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-6-(oxolan-2-ylmethoxy)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80989749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).