N'-(1,4,5,6-tetrahydropyrimidin-2-yl)butane-1,4-diamine

C8H18N4 — CID 23203090

IUPACN'-(1,4,5,6-tetrahydropyrimidin-2-yl)butane-1,4-diamine
SMILESNCCCCNC1=NCCCN1
InChIInChI=1S/C8H18N4/c9-4-1-2-5-10-8-11-6-3-7-12-8/h1-7,9H2,(H2,10,11,12)
InChIKeyXZROMTHMWKCBES-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.34
Rot. Bonds4

About N'-(1,4,5,6-tetrahydropyrimidin-2-yl)butane-1,4-diamine

N'-(1,4,5,6-tetrahydropyrimidin-2-yl)butane-1,4-diamine (PubChem CID 23203090) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is N'-(1,4,5,6-tetrahydropyrimidin-2-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(1,4,5,6-tetrahydropyrimidin-2-yl)butane-1,4-diamine
PubChem CID23203090
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC NameN'-(1,4,5,6-tetrahydropyrimidin-2-yl)butane-1,4-diamine
SMILESNCCCCNC1=NCCCN1
InChIInChI=1S/C8H18N4/c9-4-1-2-5-10-8-11-6-3-7-12-8/h1-7,9H2,(H2,10,11,12)
InChIKeyXZROMTHMWKCBES-UHFFFAOYSA-N
XLogP-0.34
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
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 N'-(1,4,5,6-tetrahydropyrimidin-2-yl)butane-1,4-diamine?
The IUPAC name of N'-(1,4,5,6-tetrahydropyrimidin-2-yl)butane-1,4-diamine (CID 23203090) is N'-(1,4,5,6-tetrahydropyrimidin-2-yl)butane-1,4-diamine.
What is the SMILES notation for N'-(1,4,5,6-tetrahydropyrimidin-2-yl)butane-1,4-diamine?
The canonical SMILES for N'-(1,4,5,6-tetrahydropyrimidin-2-yl)butane-1,4-diamine is NCCCCNC1=NCCCN1.
What is the InChIKey of N'-(1,4,5,6-tetrahydropyrimidin-2-yl)butane-1,4-diamine?
The InChIKey is XZROMTHMWKCBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c9-4-1-2-5-10-8-11-6-3-7-12-8/h1-7,9H2,(H2,10,11,12).
What are the key properties of N'-(1,4,5,6-tetrahydropyrimidin-2-yl)butane-1,4-diamine?
N'-(1,4,5,6-tetrahydropyrimidin-2-yl)butane-1,4-diamine has a molecular weight of 170.26 g/mol, XLogP of -0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,4,5,6-tetrahydropyrimidin-2-yl)butane-1,4-diamine is sourced from PubChem (CID 23203090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).