2-N-(2-methylpropyl)-2-N-pentan-3-ylpyrimidine-2,5-diamine

C13H24N4 — CID 79483689

IUPAC2-N-(2-methylpropyl)-2-N-pentan-3-ylpyrimidine-2,5-diamine
SMILESCCC(CC)N(CC(C)C)c1ncc(N)cn1
InChIInChI=1S/C13H24N4/c1-5-12(6-2)17(9-10(3)4)13-15-7-11(14)8-16-13/h7-8,10,12H,5-6,9,14H2,1-4H3
InChIKeyASBFIWFFLFPRDE-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.71
Rot. Bonds6

About 2-N-(2-methylpropyl)-2-N-pentan-3-ylpyrimidine-2,5-diamine

2-N-(2-methylpropyl)-2-N-pentan-3-ylpyrimidine-2,5-diamine (PubChem CID 79483689) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-N-(2-methylpropyl)-2-N-pentan-3-ylpyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-methylpropyl)-2-N-pentan-3-ylpyrimidine-2,5-diamine
PubChem CID79483689
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2-N-(2-methylpropyl)-2-N-pentan-3-ylpyrimidine-2,5-diamine
SMILESCCC(CC)N(CC(C)C)c1ncc(N)cn1
InChIInChI=1S/C13H24N4/c1-5-12(6-2)17(9-10(3)4)13-15-7-11(14)8-16-13/h7-8,10,12H,5-6,9,14H2,1-4H3
InChIKeyASBFIWFFLFPRDE-UHFFFAOYSA-N
XLogP2.71
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methylpropyl)-2-N-pentan-3-ylpyrimidine-2,5-diamine?
The IUPAC name of 2-N-(2-methylpropyl)-2-N-pentan-3-ylpyrimidine-2,5-diamine (CID 79483689) is 2-N-(2-methylpropyl)-2-N-pentan-3-ylpyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-(2-methylpropyl)-2-N-pentan-3-ylpyrimidine-2,5-diamine?
The canonical SMILES for 2-N-(2-methylpropyl)-2-N-pentan-3-ylpyrimidine-2,5-diamine is CCC(CC)N(CC(C)C)c1ncc(N)cn1.
What is the InChIKey of 2-N-(2-methylpropyl)-2-N-pentan-3-ylpyrimidine-2,5-diamine?
The InChIKey is ASBFIWFFLFPRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-5-12(6-2)17(9-10(3)4)13-15-7-11(14)8-16-13/h7-8,10,12H,5-6,9,14H2,1-4H3.
What are the key properties of 2-N-(2-methylpropyl)-2-N-pentan-3-ylpyrimidine-2,5-diamine?
2-N-(2-methylpropyl)-2-N-pentan-3-ylpyrimidine-2,5-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methylpropyl)-2-N-pentan-3-ylpyrimidine-2,5-diamine is sourced from PubChem (CID 79483689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).