N-butyl-1,4-dihydropyrimidin-4-amine

C8H15N3 — CID 23102910

IUPACN-butyl-1,4-dihydropyrimidin-4-amine
SMILESCCCCNC1C=CNC=N1
InChIInChI=1S/C8H15N3/c1-2-3-5-10-8-4-6-9-7-11-8/h4,6-8,10H,2-3,5H2,1H3,(H,9,11)
InChIKeyTVVXSFVIWVBNHK-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.85
Rot. Bonds4

About N-butyl-1,4-dihydropyrimidin-4-amine

N-butyl-1,4-dihydropyrimidin-4-amine (PubChem CID 23102910) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N-butyl-1,4-dihydropyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-1,4-dihydropyrimidin-4-amine
PubChem CID23102910
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN-butyl-1,4-dihydropyrimidin-4-amine
SMILESCCCCNC1C=CNC=N1
InChIInChI=1S/C8H15N3/c1-2-3-5-10-8-4-6-9-7-11-8/h4,6-8,10H,2-3,5H2,1H3,(H,9,11)
InChIKeyTVVXSFVIWVBNHK-UHFFFAOYSA-N
XLogP0.85
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-butyl-1,4-dihydropyrimidin-4-amine?
The IUPAC name of N-butyl-1,4-dihydropyrimidin-4-amine (CID 23102910) is N-butyl-1,4-dihydropyrimidin-4-amine.
What is the SMILES notation for N-butyl-1,4-dihydropyrimidin-4-amine?
The canonical SMILES for N-butyl-1,4-dihydropyrimidin-4-amine is CCCCNC1C=CNC=N1.
What is the InChIKey of N-butyl-1,4-dihydropyrimidin-4-amine?
The InChIKey is TVVXSFVIWVBNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-2-3-5-10-8-4-6-9-7-11-8/h4,6-8,10H,2-3,5H2,1H3,(H,9,11).
What are the key properties of N-butyl-1,4-dihydropyrimidin-4-amine?
N-butyl-1,4-dihydropyrimidin-4-amine has a molecular weight of 153.23 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1,4-dihydropyrimidin-4-amine is sourced from PubChem (CID 23102910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).