N-butyl-5-(butylideneamino)-6-methyl-1,4-dihydropyrimidin-4-amine

C13H24N4 — CID 178170088

IUPACN-butyl-5-(butylideneamino)-6-methyl-1,4-dihydropyrimidin-4-amine
SMILESCCC/C=N/C1=C(C)NC=NC1NCCCC
InChIInChI=1S/C13H24N4/c1-4-6-8-14-12-11(3)16-10-17-13(12)15-9-7-5-2/h8,10,13,15H,4-7,9H2,1-3H3,(H,16,17)/b14-8+
InChIKeyYSNNOBICXUAROX-RIYZIHGNSA-N
MW236.36 g/mol
LogP2.44
Rot. Bonds7

About N-butyl-5-(butylideneamino)-6-methyl-1,4-dihydropyrimidin-4-amine

N-butyl-5-(butylideneamino)-6-methyl-1,4-dihydropyrimidin-4-amine (PubChem CID 178170088) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-butyl-5-(butylideneamino)-6-methyl-1,4-dihydropyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-5-(butylideneamino)-6-methyl-1,4-dihydropyrimidin-4-amine
PubChem CID178170088
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-butyl-5-(butylideneamino)-6-methyl-1,4-dihydropyrimidin-4-amine
SMILESCCC/C=N/C1=C(C)NC=NC1NCCCC
InChIInChI=1S/C13H24N4/c1-4-6-8-14-12-11(3)16-10-17-13(12)15-9-7-5-2/h8,10,13,15H,4-7,9H2,1-3H3,(H,16,17)/b14-8+
InChIKeyYSNNOBICXUAROX-RIYZIHGNSA-N
XLogP2.44
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(butylideneamino)-6-methyl-1,4-dihydropyrimidin-4-amine?
The IUPAC name of N-butyl-5-(butylideneamino)-6-methyl-1,4-dihydropyrimidin-4-amine (CID 178170088) is N-butyl-5-(butylideneamino)-6-methyl-1,4-dihydropyrimidin-4-amine.
What is the SMILES notation for N-butyl-5-(butylideneamino)-6-methyl-1,4-dihydropyrimidin-4-amine?
The canonical SMILES for N-butyl-5-(butylideneamino)-6-methyl-1,4-dihydropyrimidin-4-amine is CCC/C=N/C1=C(C)NC=NC1NCCCC.
What is the InChIKey of N-butyl-5-(butylideneamino)-6-methyl-1,4-dihydropyrimidin-4-amine?
The InChIKey is YSNNOBICXUAROX-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-6-8-14-12-11(3)16-10-17-13(12)15-9-7-5-2/h8,10,13,15H,4-7,9H2,1-3H3,(H,16,17)/b14-8+.
What are the key properties of N-butyl-5-(butylideneamino)-6-methyl-1,4-dihydropyrimidin-4-amine?
N-butyl-5-(butylideneamino)-6-methyl-1,4-dihydropyrimidin-4-amine has a molecular weight of 236.36 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(butylideneamino)-6-methyl-1,4-dihydropyrimidin-4-amine is sourced from PubChem (CID 178170088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).