2-(2-ethoxybutan-2-yl)-6-methyl-N-propylpyrimidin-4-amine

C14H25N3O — CID 116775818

IUPAC2-(2-ethoxybutan-2-yl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(C(C)(CC)OCC)n1
InChIInChI=1S/C14H25N3O/c1-6-9-15-12-10-11(4)16-13(17-12)14(5,7-2)18-8-3/h10H,6-9H2,1-5H3,(H,15,16,17)
InChIKeyLYKBHDJKYRXQRM-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.27
Rot. Bonds7

About 2-(2-ethoxybutan-2-yl)-6-methyl-N-propylpyrimidin-4-amine

2-(2-ethoxybutan-2-yl)-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 116775818) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(2-ethoxybutan-2-yl)-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-ethoxybutan-2-yl)-6-methyl-N-propylpyrimidin-4-amine
PubChem CID116775818
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-(2-ethoxybutan-2-yl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(C(C)(CC)OCC)n1
InChIInChI=1S/C14H25N3O/c1-6-9-15-12-10-11(4)16-13(17-12)14(5,7-2)18-8-3/h10H,6-9H2,1-5H3,(H,15,16,17)
InChIKeyLYKBHDJKYRXQRM-UHFFFAOYSA-N
XLogP3.27
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxybutan-2-yl)-N-ethyl-6-methylpyrimidin-4-amine
CID 116775799
[2-(2-methoxybutan-2-yl)-6-methylpyrimidin-4-yl]hydrazine
CID 116777510
6-tert-butyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine
CID 116775920
2-(4-tert-butylphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 63485987
6-cyclopropyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine
CID 116776316
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821
2-tert-butyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 106332144
2-tert-butyl-6-(2-methylbutan-2-yloxy)-N-propylpyrimidin-4-amine
CID 80966505
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
6-methyl-N-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine
CID 80654941
2-(2-ethoxybutan-2-yl)-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine
CID 116777267
2,6-dimethyl-N-propylpyridin-4-amine
CID 126976609

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxybutan-2-yl)-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(2-ethoxybutan-2-yl)-6-methyl-N-propylpyrimidin-4-amine (CID 116775818) is 2-(2-ethoxybutan-2-yl)-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-ethoxybutan-2-yl)-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(2-ethoxybutan-2-yl)-6-methyl-N-propylpyrimidin-4-amine is CCCNc1cc(C)nc(C(C)(CC)OCC)n1.
What is the InChIKey of 2-(2-ethoxybutan-2-yl)-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is LYKBHDJKYRXQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-6-9-15-12-10-11(4)16-13(17-12)14(5,7-2)18-8-3/h10H,6-9H2,1-5H3,(H,15,16,17).
What are the key properties of 2-(2-ethoxybutan-2-yl)-6-methyl-N-propylpyrimidin-4-amine?
2-(2-ethoxybutan-2-yl)-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 251.37 g/mol, XLogP of 3.27, 7 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)-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 116775818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).