6-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-2,4-diamine

C14H26N4 — CID 80849194

IUPAC6-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-2,4-diamine
SMILESCCC(CC)N(CC(C)C)c1cc(C)nc(N)n1
InChIInChI=1S/C14H26N4/c1-6-12(7-2)18(9-10(3)4)13-8-11(5)16-14(15)17-13/h8,10,12H,6-7,9H2,1-5H3,(H2,15,16,17)
InChIKeyOOIBDFIAJVDJGN-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.02
Rot. Bonds6

About 6-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-2,4-diamine

6-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-2,4-diamine (PubChem CID 80849194) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 6-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-2,4-diamine
PubChem CID80849194
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name6-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-2,4-diamine
SMILESCCC(CC)N(CC(C)C)c1cc(C)nc(N)n1
InChIInChI=1S/C14H26N4/c1-6-12(7-2)18(9-10(3)4)13-8-11(5)16-14(15)17-13/h8,10,12H,6-7,9H2,1-5H3,(H2,15,16,17)
InChIKeyOOIBDFIAJVDJGN-UHFFFAOYSA-N
XLogP3.02
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-2,4-diamine (CID 80849194) is 6-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-2,4-diamine is CCC(CC)N(CC(C)C)c1cc(C)nc(N)n1.
What is the InChIKey of 6-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-2,4-diamine?
The InChIKey is OOIBDFIAJVDJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-6-12(7-2)18(9-10(3)4)13-8-11(5)16-14(15)17-13/h8,10,12H,6-7,9H2,1-5H3,(H2,15,16,17).
What are the key properties of 6-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-2,4-diamine?
6-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-2,4-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 80849194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).