5-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-4,6-diamine

C16H30N4 — CID 107871762

IUPAC5-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1N(CCC(C)C)CCC(C)C
InChIInChI=1S/C16H30N4/c1-6-14-15(17)18-11-19-16(14)20(9-7-12(2)3)10-8-13(4)5/h11-13H,6-10H2,1-5H3,(H2,17,18,19)
InChIKeySLKGWJPCULOKJU-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.52
Rot. Bonds8

About 5-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-4,6-diamine

5-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-4,6-diamine (PubChem CID 107871762) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 5-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-4,6-diamine
PubChem CID107871762
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name5-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1N(CCC(C)C)CCC(C)C
InChIInChI=1S/C16H30N4/c1-6-14-15(17)18-11-19-16(14)20(9-7-12(2)3)10-8-13(4)5/h11-13H,6-10H2,1-5H3,(H2,17,18,19)
InChIKeySLKGWJPCULOKJU-UHFFFAOYSA-N
XLogP3.52
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-4,6-diamine (CID 107871762) is 5-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-4,6-diamine is CCc1c(N)ncnc1N(CCC(C)C)CCC(C)C.
What is the InChIKey of 5-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-4,6-diamine?
The InChIKey is SLKGWJPCULOKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-6-14-15(17)18-11-19-16(14)20(9-7-12(2)3)10-8-13(4)5/h11-13H,6-10H2,1-5H3,(H2,17,18,19).
What are the key properties of 5-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-4,6-diamine?
5-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-4,6-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 107871762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).