2-N-benzyl-4-N-butyl-2-N-ethylpyrimidine-2,4-diamine

C17H24N4 — CID 112882826

IUPAC2-N-benzyl-4-N-butyl-2-N-ethylpyrimidine-2,4-diamine
SMILESCCCCNc1ccnc(N(CC)Cc2ccccc2)n1
InChIInChI=1S/C17H24N4/c1-3-5-12-18-16-11-13-19-17(20-16)21(4-2)14-15-9-7-6-8-10-15/h6-11,13H,3-5,12,14H2,1-2H3,(H,18,19,20)
InChIKeyNDLGDNBWCCHCPH-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.72
Rot. Bonds8

About 2-N-benzyl-4-N-butyl-2-N-ethylpyrimidine-2,4-diamine

2-N-benzyl-4-N-butyl-2-N-ethylpyrimidine-2,4-diamine (PubChem CID 112882826) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-N-benzyl-4-N-butyl-2-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-4-N-butyl-2-N-ethylpyrimidine-2,4-diamine
PubChem CID112882826
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-N-benzyl-4-N-butyl-2-N-ethylpyrimidine-2,4-diamine
SMILESCCCCNc1ccnc(N(CC)Cc2ccccc2)n1
InChIInChI=1S/C17H24N4/c1-3-5-12-18-16-11-13-19-17(20-16)21(4-2)14-15-9-7-6-8-10-15/h6-11,13H,3-5,12,14H2,1-2H3,(H,18,19,20)
InChIKeyNDLGDNBWCCHCPH-UHFFFAOYSA-N
XLogP3.72
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-benzyl-2-N-ethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889696
2-N-benzyl-2-N-ethyl-4-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891362
2-N-benzyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine
CID 112882242
2-N-butyl-2-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899258
6-N-benzyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine
CID 80753536
4-N-butyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112882830
4-N-[3-(3-chlorophenyl)propyl]-2-N,2-N-diethylpyrimidine-2,4-diamine
CID 166340795
4-N-benzyl-2-N-butylpyrimidine-2,4-diamine
CID 112883005
2-N-benzyl-2-N-ethyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112893092
2-N-benzyl-4-N-butyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 112933555
N-butyl-2-methylpyrimidin-4-amine
CID 62785690
2-N-benzyl-4-N-(2-phenylethyl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112893961

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-4-N-butyl-2-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-benzyl-4-N-butyl-2-N-ethylpyrimidine-2,4-diamine (CID 112882826) is 2-N-benzyl-4-N-butyl-2-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-4-N-butyl-2-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-4-N-butyl-2-N-ethylpyrimidine-2,4-diamine is CCCCNc1ccnc(N(CC)Cc2ccccc2)n1.
What is the InChIKey of 2-N-benzyl-4-N-butyl-2-N-ethylpyrimidine-2,4-diamine?
The InChIKey is NDLGDNBWCCHCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-3-5-12-18-16-11-13-19-17(20-16)21(4-2)14-15-9-7-6-8-10-15/h6-11,13H,3-5,12,14H2,1-2H3,(H,18,19,20).
What are the key properties of 2-N-benzyl-4-N-butyl-2-N-ethylpyrimidine-2,4-diamine?
2-N-benzyl-4-N-butyl-2-N-ethylpyrimidine-2,4-diamine has a molecular weight of 284.41 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-4-N-butyl-2-N-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 112882826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).