6-N-(3-aminobutyl)-4-N,2-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine

C14H27N5 — CID 115266442

IUPAC6-N-(3-aminobutyl)-4-N,2-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
SMILESCc1nc(NCCC(C)N)cc(N(C)CC(C)C)n1
InChIInChI=1S/C14H27N5/c1-10(2)9-19(5)14-8-13(17-12(4)18-14)16-7-6-11(3)15/h8,10-11H,6-7,9,15H2,1-5H3,(H,16,17,18)
InChIKeyGERQFOBFJBZCQA-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.03
Rot. Bonds7

About 6-N-(3-aminobutyl)-4-N,2-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine

6-N-(3-aminobutyl)-4-N,2-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine (PubChem CID 115266442) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 6-N-(3-aminobutyl)-4-N,2-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3-aminobutyl)-4-N,2-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
PubChem CID115266442
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name6-N-(3-aminobutyl)-4-N,2-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
SMILESCc1nc(NCCC(C)N)cc(N(C)CC(C)C)n1
InChIInChI=1S/C14H27N5/c1-10(2)9-19(5)14-8-13(17-12(4)18-14)16-7-6-11(3)15/h8,10-11H,6-7,9,15H2,1-5H3,(H,16,17,18)
InChIKeyGERQFOBFJBZCQA-UHFFFAOYSA-N
XLogP2.03
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-(3-aminobutyl)-4-N,2-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3-aminobutyl)-4-N,2-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine (CID 115266442) is 6-N-(3-aminobutyl)-4-N,2-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3-aminobutyl)-4-N,2-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3-aminobutyl)-4-N,2-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine is Cc1nc(NCCC(C)N)cc(N(C)CC(C)C)n1.
What is the InChIKey of 6-N-(3-aminobutyl)-4-N,2-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The InChIKey is GERQFOBFJBZCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-10(2)9-19(5)14-8-13(17-12(4)18-14)16-7-6-11(3)15/h8,10-11H,6-7,9,15H2,1-5H3,(H,16,17,18).
What are the key properties of 6-N-(3-aminobutyl)-4-N,2-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine?
6-N-(3-aminobutyl)-4-N,2-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine has a molecular weight of 265.40 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-aminobutyl)-4-N,2-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 115266442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).