2-N,2-N,2-triethyl-1-N-methyl-1-pyrimidin-5-ylbutane-1,2-diamine

C15H28N4 — CID 79067715

IUPAC2-N,2-N,2-triethyl-1-N-methyl-1-pyrimidin-5-ylbutane-1,2-diamine
SMILESCCN(CC)C(CC)(CC)C(NC)c1cncnc1
InChIInChI=1S/C15H28N4/c1-6-15(7-2,19(8-3)9-4)14(16-5)13-10-17-12-18-11-13/h10-12,14,16H,6-9H2,1-5H3
InChIKeyOHPRGUQEUSJNBT-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.64
Rot. Bonds8

About 2-N,2-N,2-triethyl-1-N-methyl-1-pyrimidin-5-ylbutane-1,2-diamine

2-N,2-N,2-triethyl-1-N-methyl-1-pyrimidin-5-ylbutane-1,2-diamine (PubChem CID 79067715) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-N,2-N,2-triethyl-1-N-methyl-1-pyrimidin-5-ylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,2-triethyl-1-N-methyl-1-pyrimidin-5-ylbutane-1,2-diamine
PubChem CID79067715
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2-N,2-N,2-triethyl-1-N-methyl-1-pyrimidin-5-ylbutane-1,2-diamine
SMILESCCN(CC)C(CC)(CC)C(NC)c1cncnc1
InChIInChI=1S/C15H28N4/c1-6-15(7-2,19(8-3)9-4)14(16-5)13-10-17-12-18-11-13/h10-12,14,16H,6-9H2,1-5H3
InChIKeyOHPRGUQEUSJNBT-UHFFFAOYSA-N
XLogP2.64
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-triethyl-1-N-methyl-1-pyrimidin-5-ylbutane-1,2-diamine?
The IUPAC name of 2-N,2-N,2-triethyl-1-N-methyl-1-pyrimidin-5-ylbutane-1,2-diamine (CID 79067715) is 2-N,2-N,2-triethyl-1-N-methyl-1-pyrimidin-5-ylbutane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,2-triethyl-1-N-methyl-1-pyrimidin-5-ylbutane-1,2-diamine?
The canonical SMILES for 2-N,2-N,2-triethyl-1-N-methyl-1-pyrimidin-5-ylbutane-1,2-diamine is CCN(CC)C(CC)(CC)C(NC)c1cncnc1.
What is the InChIKey of 2-N,2-N,2-triethyl-1-N-methyl-1-pyrimidin-5-ylbutane-1,2-diamine?
The InChIKey is OHPRGUQEUSJNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-6-15(7-2,19(8-3)9-4)14(16-5)13-10-17-12-18-11-13/h10-12,14,16H,6-9H2,1-5H3.
What are the key properties of 2-N,2-N,2-triethyl-1-N-methyl-1-pyrimidin-5-ylbutane-1,2-diamine?
2-N,2-N,2-triethyl-1-N-methyl-1-pyrimidin-5-ylbutane-1,2-diamine has a molecular weight of 264.42 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-triethyl-1-N-methyl-1-pyrimidin-5-ylbutane-1,2-diamine is sourced from PubChem (CID 79067715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).