N-ethyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine

C13H23N3O — CID 80949979

IUPACN-ethyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)cc(OCC(C)C)n1
InChIInChI=1S/C13H23N3O/c1-5-7-11-15-12(14-6-2)8-13(16-11)17-9-10(3)4/h8,10H,5-7,9H2,1-4H3,(H,14,15,16)
InChIKeyYMUCQLFOCQVQSM-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.90
Rot. Bonds7

About N-ethyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine

N-ethyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine (PubChem CID 80949979) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-ethyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine
PubChem CID80949979
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-ethyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)cc(OCC(C)C)n1
InChIInChI=1S/C13H23N3O/c1-5-7-11-15-12(14-6-2)8-13(16-11)17-9-10(3)4/h8,10H,5-7,9H2,1-4H3,(H,14,15,16)
InChIKeyYMUCQLFOCQVQSM-UHFFFAOYSA-N
XLogP2.90
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine
CID 82454277
N-ethyl-6-hexoxy-2-propylpyrimidin-4-amine
CID 80950123
N-ethyl-6-heptoxy-2-propylpyrimidin-4-amine
CID 80950198
6-(1-ethoxypropan-2-yloxy)-N-ethyl-2-propylpyrimidin-4-amine
CID 103491671
N-ethyl-6-(2-methylpropoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80860112
6-butoxy-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 82458095
6-(2-ethylbutoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 114208764
2-cyclohexyl-N-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82458405
[6-(3-methylbutoxy)-2-propylpyrimidin-4-yl]hydrazine
CID 80947494
6-ethoxy-N-prop-2-enyl-2-propylpyrimidin-4-amine
CID 82453959
N-butan-2-yl-2-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82454213
N-ethyl-6-(2-methoxyphenoxy)-2-propylpyrimidin-4-amine
CID 80944699

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine (CID 80949979) is N-ethyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine is CCCc1nc(NCC)cc(OCC(C)C)n1.
What is the InChIKey of N-ethyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine?
The InChIKey is YMUCQLFOCQVQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-7-11-15-12(14-6-2)8-13(16-11)17-9-10(3)4/h8,10H,5-7,9H2,1-4H3,(H,14,15,16).
What are the key properties of N-ethyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine?
N-ethyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80949979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).