3-(6-ethoxy-5-methylpyrimidin-4-yl)-N-propylpentan-2-amine

C15H27N3O — CID 66325560

IUPAC3-(6-ethoxy-5-methylpyrimidin-4-yl)-N-propylpentan-2-amine
SMILESCCCNC(C)C(CC)c1ncnc(OCC)c1C
InChIInChI=1S/C15H27N3O/c1-6-9-16-12(5)13(7-2)14-11(4)15(19-8-3)18-10-17-14/h10,12-13,16H,6-9H2,1-5H3
InChIKeyNEKBVVBAXZUCDC-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.07
Rot. Bonds8

About 3-(6-ethoxy-5-methylpyrimidin-4-yl)-N-propylpentan-2-amine

3-(6-ethoxy-5-methylpyrimidin-4-yl)-N-propylpentan-2-amine (PubChem CID 66325560) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-(6-ethoxy-5-methylpyrimidin-4-yl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-(6-ethoxy-5-methylpyrimidin-4-yl)-N-propylpentan-2-amine
PubChem CID66325560
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3-(6-ethoxy-5-methylpyrimidin-4-yl)-N-propylpentan-2-amine
SMILESCCCNC(C)C(CC)c1ncnc(OCC)c1C
InChIInChI=1S/C15H27N3O/c1-6-9-16-12(5)13(7-2)14-11(4)15(19-8-3)18-10-17-14/h10,12-13,16H,6-9H2,1-5H3
InChIKeyNEKBVVBAXZUCDC-UHFFFAOYSA-N
XLogP3.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-ethoxy-5-methylpyrimidin-4-yl)-N-methylpentan-2-amine
CID 66325356
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-propylpentan-2-amine
CID 63200644
4-(3-chloropentan-2-yl)-6-ethoxy-5-methylpyrimidine
CID 66327821
3-(6-methoxy-5-methylpyrimidin-4-yl)pentan-2-amine
CID 66326541
6-ethoxy-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine
CID 66325620
N-[1-cyclopropyl-2-(6-ethoxy-5-methylpyrimidin-4-yl)ethyl]propan-1-amine
CID 66325561
N-ethyl-2-(6-methoxy-5-methylpyrimidin-4-yl)pentan-3-amine
CID 66327165
1-N-(6-ethoxy-5-methylpyrimidin-4-yl)propane-1,2-diamine
CID 66326356
6-ethoxy-5-methyl-N-(5-methylhexyl)pyrimidin-4-amine
CID 115326240
3-phenyl-N-propylpentan-2-amine
CID 66438754
N-(3,3-dimethylbutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 113457874
4-(2-chloropropyl)-6-ethoxy-5-methylpyrimidine
CID 66327001

Frequently Asked Questions

What is the IUPAC name of 3-(6-ethoxy-5-methylpyrimidin-4-yl)-N-propylpentan-2-amine?
The IUPAC name of 3-(6-ethoxy-5-methylpyrimidin-4-yl)-N-propylpentan-2-amine (CID 66325560) is 3-(6-ethoxy-5-methylpyrimidin-4-yl)-N-propylpentan-2-amine.
What is the SMILES notation for 3-(6-ethoxy-5-methylpyrimidin-4-yl)-N-propylpentan-2-amine?
The canonical SMILES for 3-(6-ethoxy-5-methylpyrimidin-4-yl)-N-propylpentan-2-amine is CCCNC(C)C(CC)c1ncnc(OCC)c1C.
What is the InChIKey of 3-(6-ethoxy-5-methylpyrimidin-4-yl)-N-propylpentan-2-amine?
The InChIKey is NEKBVVBAXZUCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-6-9-16-12(5)13(7-2)14-11(4)15(19-8-3)18-10-17-14/h10,12-13,16H,6-9H2,1-5H3.
What are the key properties of 3-(6-ethoxy-5-methylpyrimidin-4-yl)-N-propylpentan-2-amine?
3-(6-ethoxy-5-methylpyrimidin-4-yl)-N-propylpentan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethoxy-5-methylpyrimidin-4-yl)-N-propylpentan-2-amine is sourced from PubChem (CID 66325560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).