4-N-ethyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine

C12H22N4 — CID 80774522

IUPAC4-N-ethyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCCN(CC(C)C)c1cc(C)nc(NC)n1
InChIInChI=1S/C12H22N4/c1-6-16(8-9(2)3)11-7-10(4)14-12(13-5)15-11/h7,9H,6,8H2,1-5H3,(H,13,14,15)
InChIKeyPEIIOJSIRJOXAZ-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.31
Rot. Bonds5

About 4-N-ethyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine

4-N-ethyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine (PubChem CID 80774522) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 4-N-ethyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
PubChem CID80774522
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name4-N-ethyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCCN(CC(C)C)c1cc(C)nc(NC)n1
InChIInChI=1S/C12H22N4/c1-6-16(8-9(2)3)11-7-10(4)14-12(13-5)15-11/h7,9H,6,8H2,1-5H3,(H,13,14,15)
InChIKeyPEIIOJSIRJOXAZ-UHFFFAOYSA-N
XLogP2.31
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine (CID 80774522) is 4-N-ethyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine is CCN(CC(C)C)c1cc(C)nc(NC)n1.
What is the InChIKey of 4-N-ethyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The InChIKey is PEIIOJSIRJOXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-6-16(8-9(2)3)11-7-10(4)14-12(13-5)15-11/h7,9H,6,8H2,1-5H3,(H,13,14,15).
What are the key properties of 4-N-ethyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
4-N-ethyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80774522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).