2-butyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine

C12H21N3O — CID 79412373

IUPAC2-butyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
SMILESCCCCc1nc(COC)cc(NCC)n1
InChIInChI=1S/C12H21N3O/c1-4-6-7-11-14-10(9-16-3)8-12(15-11)13-5-2/h8H,4-7,9H2,1-3H3,(H,13,14,15)
InChIKeyILKCGBBZEIEBFE-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.40
Rot. Bonds7

About 2-butyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine

2-butyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 79412373) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-butyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-butyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID79412373
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-butyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
SMILESCCCCc1nc(COC)cc(NCC)n1
InChIInChI=1S/C12H21N3O/c1-4-6-7-11-14-10(9-16-3)8-12(15-11)13-5-2/h8H,4-7,9H2,1-3H3,(H,13,14,15)
InChIKeyILKCGBBZEIEBFE-UHFFFAOYSA-N
XLogP2.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 2-butyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine (CID 79412373) is 2-butyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-butyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 2-butyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine is CCCCc1nc(COC)cc(NCC)n1.
What is the InChIKey of 2-butyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is ILKCGBBZEIEBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-6-7-11-14-10(9-16-3)8-12(15-11)13-5-2/h8H,4-7,9H2,1-3H3,(H,13,14,15).
What are the key properties of 2-butyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine?
2-butyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 223.32 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 79412373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).