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

C13H23N3O — CID 66325356

IUPAC3-(6-ethoxy-5-methylpyrimidin-4-yl)-N-methylpentan-2-amine
SMILESCCOc1ncnc(C(CC)C(C)NC)c1C
InChIInChI=1S/C13H23N3O/c1-6-11(10(4)14-5)12-9(3)13(17-7-2)16-8-15-12/h8,10-11,14H,6-7H2,1-5H3
InChIKeyQEECZMNDTZAJGU-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.29
Rot. Bonds6

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

3-(6-ethoxy-5-methylpyrimidin-4-yl)-N-methylpentan-2-amine (PubChem CID 66325356) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-(6-ethoxy-5-methylpyrimidin-4-yl)-N-methylpentan-2-amine.

Molecular Properties

Compound Name3-(6-ethoxy-5-methylpyrimidin-4-yl)-N-methylpentan-2-amine
PubChem CID66325356
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-(6-ethoxy-5-methylpyrimidin-4-yl)-N-methylpentan-2-amine
SMILESCCOc1ncnc(C(CC)C(C)NC)c1C
InChIInChI=1S/C13H23N3O/c1-6-11(10(4)14-5)12-9(3)13(17-7-2)16-8-15-12/h8,10-11,14H,6-7H2,1-5H3
InChIKeyQEECZMNDTZAJGU-UHFFFAOYSA-N
XLogP2.29
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine
CID 50988019
4-methoxy-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine
CID 50989214
7-(2-Methoxyethyl)-4-propan-2-yloxy-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 97516607
4-Methoxy-7-(oxolan-3-ylmethyl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 118741016
4-ethoxy-6-(2-methoxyethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 53538543
2-cyclopropyl-9-methyl-4-(3,3,3-trifluoropropoxy)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine;dihydrochloride
CID 11581847
2-cyclopropyl-4-(3,3,3-trifluoropropoxy)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine;dihydrochloride
CID 11689299
2-cyclopropyl-4-(3,3,3-trifluoropropoxy)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 11689300
2-[2-Cyclopropyl-4-ethyl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine
CID 143219149
2-cyclopropyl-4-(4,4,4-trifluorobutoxy)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 143219170
2-ethyl-4-(2,2,2-trifluoroethoxy)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 143219183
2-cyclopropyl-4-(2,2,2-trifluoroethoxy)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 143219193

Frequently Asked Questions

What is the IUPAC name of 3-(6-ethoxy-5-methylpyrimidin-4-yl)-N-methylpentan-2-amine?
The IUPAC name of 3-(6-ethoxy-5-methylpyrimidin-4-yl)-N-methylpentan-2-amine (CID 66325356) is 3-(6-ethoxy-5-methylpyrimidin-4-yl)-N-methylpentan-2-amine.
What is the SMILES notation for 3-(6-ethoxy-5-methylpyrimidin-4-yl)-N-methylpentan-2-amine?
The canonical SMILES for 3-(6-ethoxy-5-methylpyrimidin-4-yl)-N-methylpentan-2-amine is CCOc1ncnc(C(CC)C(C)NC)c1C.
What is the InChIKey of 3-(6-ethoxy-5-methylpyrimidin-4-yl)-N-methylpentan-2-amine?
The InChIKey is QEECZMNDTZAJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-6-11(10(4)14-5)12-9(3)13(17-7-2)16-8-15-12/h8,10-11,14H,6-7H2,1-5H3.
What are the key properties of 3-(6-ethoxy-5-methylpyrimidin-4-yl)-N-methylpentan-2-amine?
3-(6-ethoxy-5-methylpyrimidin-4-yl)-N-methylpentan-2-amine has a molecular weight of 237.35 g/mol, XLogP of 2.29, 6 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-methylpentan-2-amine is sourced from PubChem (CID 66325356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).