2-(2-ethoxybutan-2-yl)-N-ethyl-6-methylpyrimidin-4-amine

C13H23N3O — CID 116775799

IUPAC2-(2-ethoxybutan-2-yl)-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(C(C)(CC)OCC)n1
InChIInChI=1S/C13H23N3O/c1-6-13(5,17-8-3)12-15-10(4)9-11(16-12)14-7-2/h9H,6-8H2,1-5H3,(H,14,15,16)
InChIKeyHDZVBUSSHNNDAM-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.88
Rot. Bonds6

About 2-(2-ethoxybutan-2-yl)-N-ethyl-6-methylpyrimidin-4-amine

2-(2-ethoxybutan-2-yl)-N-ethyl-6-methylpyrimidin-4-amine (PubChem CID 116775799) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(2-ethoxybutan-2-yl)-N-ethyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-ethoxybutan-2-yl)-N-ethyl-6-methylpyrimidin-4-amine
PubChem CID116775799
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-(2-ethoxybutan-2-yl)-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(C(C)(CC)OCC)n1
InChIInChI=1S/C13H23N3O/c1-6-13(5,17-8-3)12-15-10(4)9-11(16-12)14-7-2/h9H,6-8H2,1-5H3,(H,14,15,16)
InChIKeyHDZVBUSSHNNDAM-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxybutan-2-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 116775818
[2-(2-methoxybutan-2-yl)-6-methylpyrimidin-4-yl]hydrazine
CID 116777510
N-ethyl-6-methyl-2-(3-phenylpentan-3-yl)pyrimidin-4-amine
CID 63486103
2-(2-ethoxybutan-2-yl)-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine
CID 116777267
4-N-(2,2-dimethylbutyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773403
2-(2-ethoxybutan-2-yl)-N-methylpyrimidin-4-amine
CID 116776051
6-cyclopentyl-2-(2-ethoxybutan-2-yl)-N-methylpyrimidin-4-amine
CID 116777398
5-bromo-2-(2-ethoxybutan-2-yl)-N,6-diethylpyrimidin-4-amine
CID 116776781
N-[[2-(2-methoxybutan-2-yl)-6-methylpyrimidin-4-yl]methyl]ethanamine
CID 116778643
2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine
CID 80965456
N-ethyl-6-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773628
2-(2-ethoxybutan-2-yl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 116776679

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxybutan-2-yl)-N-ethyl-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(2-ethoxybutan-2-yl)-N-ethyl-6-methylpyrimidin-4-amine (CID 116775799) is 2-(2-ethoxybutan-2-yl)-N-ethyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-ethoxybutan-2-yl)-N-ethyl-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(2-ethoxybutan-2-yl)-N-ethyl-6-methylpyrimidin-4-amine is CCNc1cc(C)nc(C(C)(CC)OCC)n1.
What is the InChIKey of 2-(2-ethoxybutan-2-yl)-N-ethyl-6-methylpyrimidin-4-amine?
The InChIKey is HDZVBUSSHNNDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-6-13(5,17-8-3)12-15-10(4)9-11(16-12)14-7-2/h9H,6-8H2,1-5H3,(H,14,15,16).
What are the key properties of 2-(2-ethoxybutan-2-yl)-N-ethyl-6-methylpyrimidin-4-amine?
2-(2-ethoxybutan-2-yl)-N-ethyl-6-methylpyrimidin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxybutan-2-yl)-N-ethyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 116775799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).