1-N-propyl-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine

C11H20N4 — CID 114553098

IUPAC1-N-propyl-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine
SMILESCCCNCC(C)NCc1ncccn1
InChIInChI=1S/C11H20N4/c1-3-5-12-8-10(2)15-9-11-13-6-4-7-14-11/h4,6-7,10,12,15H,3,5,8-9H2,1-2H3
InChIKeyBPRGTCAIXSDFDM-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.95
Rot. Bonds7

About 1-N-propyl-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine

1-N-propyl-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine (PubChem CID 114553098) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-N-propyl-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-propyl-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine
PubChem CID114553098
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name1-N-propyl-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine
SMILESCCCNCC(C)NCc1ncccn1
InChIInChI=1S/C11H20N4/c1-3-5-12-8-10(2)15-9-11-13-6-4-7-14-11/h4,6-7,10,12,15H,3,5,8-9H2,1-2H3
InChIKeyBPRGTCAIXSDFDM-UHFFFAOYSA-N
XLogP0.95
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-propyl-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine?
The IUPAC name of 1-N-propyl-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine (CID 114553098) is 1-N-propyl-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-propyl-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 1-N-propyl-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine is CCCNCC(C)NCc1ncccn1.
What is the InChIKey of 1-N-propyl-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine?
The InChIKey is BPRGTCAIXSDFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-3-5-12-8-10(2)15-9-11-13-6-4-7-14-11/h4,6-7,10,12,15H,3,5,8-9H2,1-2H3.
What are the key properties of 1-N-propyl-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine?
1-N-propyl-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine has a molecular weight of 208.31 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-propyl-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 114553098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).