6-ethyl-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine

C12H21N3 — CID 62190576

IUPAC6-ethyl-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine
SMILESCCc1cc(NC)nc(CCC(C)C)n1
InChIInChI=1S/C12H21N3/c1-5-10-8-12(13-4)15-11(14-10)7-6-9(2)3/h8-9H,5-7H2,1-4H3,(H,13,14,15)
InChIKeyVEEOADDRYGIEDT-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.67
Rot. Bonds5

About 6-ethyl-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine

6-ethyl-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine (PubChem CID 62190576) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 6-ethyl-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine
PubChem CID62190576
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name6-ethyl-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine
SMILESCCc1cc(NC)nc(CCC(C)C)n1
InChIInChI=1S/C12H21N3/c1-5-10-8-12(13-4)15-11(14-10)7-6-9(2)3/h8-9H,5-7H2,1-4H3,(H,13,14,15)
InChIKeyVEEOADDRYGIEDT-UHFFFAOYSA-N
XLogP2.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine (CID 62190576) is 6-ethyl-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine is CCc1cc(NC)nc(CCC(C)C)n1.
What is the InChIKey of 6-ethyl-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine?
The InChIKey is VEEOADDRYGIEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-10-8-12(13-4)15-11(14-10)7-6-9(2)3/h8-9H,5-7H2,1-4H3,(H,13,14,15).
What are the key properties of 6-ethyl-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine?
6-ethyl-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine has a molecular weight of 207.32 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 62190576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).