2-N,4-N,6-tris(2-methylpropyl)pyrimidine-2,4-diamine

C16H30N4 — CID 46880832

IUPAC2-N,4-N,6-tris(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCC(C)CNc1cc(CC(C)C)nc(NCC(C)C)n1
InChIInChI=1S/C16H30N4/c1-11(2)7-14-8-15(17-9-12(3)4)20-16(19-14)18-10-13(5)6/h8,11-13H,7,9-10H2,1-6H3,(H2,17,18,19,20)
InChIKeyMJOZNEZKDXBOKE-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.81
Rot. Bonds8

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

2-N,4-N,6-tris(2-methylpropyl)pyrimidine-2,4-diamine (PubChem CID 46880832) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-N,4-N,6-tris(2-methylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N,6-tris(2-methylpropyl)pyrimidine-2,4-diamine
PubChem CID46880832
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2-N,4-N,6-tris(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCC(C)CNc1cc(CC(C)C)nc(NCC(C)C)n1
InChIInChI=1S/C16H30N4/c1-11(2)7-14-8-15(17-9-12(3)4)20-16(19-14)18-10-13(5)6/h8,11-13H,7,9-10H2,1-6H3,(H2,17,18,19,20)
InChIKeyMJOZNEZKDXBOKE-UHFFFAOYSA-N
XLogP3.81
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,6-tris(2-methylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N,6-tris(2-methylpropyl)pyrimidine-2,4-diamine (CID 46880832) is 2-N,4-N,6-tris(2-methylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N,6-tris(2-methylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N,6-tris(2-methylpropyl)pyrimidine-2,4-diamine is CC(C)CNc1cc(CC(C)C)nc(NCC(C)C)n1.
What is the InChIKey of 2-N,4-N,6-tris(2-methylpropyl)pyrimidine-2,4-diamine?
The InChIKey is MJOZNEZKDXBOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-11(2)7-14-8-15(17-9-12(3)4)20-16(19-14)18-10-13(5)6/h8,11-13H,7,9-10H2,1-6H3,(H2,17,18,19,20).
What are the key properties of 2-N,4-N,6-tris(2-methylpropyl)pyrimidine-2,4-diamine?
2-N,4-N,6-tris(2-methylpropyl)pyrimidine-2,4-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,6-tris(2-methylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 46880832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).