4-N-butyl-5-[4-(3,4-diethylphenyl)butyl]pyrimidine-2,4-diamine

C22H34N4 — CID 134569287

IUPAC4-N-butyl-5-[4-(3,4-diethylphenyl)butyl]pyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)ncc1CCCCc1ccc(CC)c(CC)c1
InChIInChI=1S/C22H34N4/c1-4-7-14-24-21-20(16-25-22(23)26-21)11-9-8-10-17-12-13-18(5-2)19(6-3)15-17/h12-13,15-16H,4-11,14H2,1-3H3,(H3,23,24,25,26)
InChIKeyTWHCYPJERRDAGX-UHFFFAOYSA-N
MW354.54 g/mol
LogP4.96
Rot. Bonds11

About 4-N-butyl-5-[4-(3,4-diethylphenyl)butyl]pyrimidine-2,4-diamine

4-N-butyl-5-[4-(3,4-diethylphenyl)butyl]pyrimidine-2,4-diamine (PubChem CID 134569287) has the molecular formula C22H34N4 and a molecular weight of 354.54 g/mol. Its IUPAC name is 4-N-butyl-5-[4-(3,4-diethylphenyl)butyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-5-[4-(3,4-diethylphenyl)butyl]pyrimidine-2,4-diamine
PubChem CID134569287
Molecular FormulaC22H34N4
Molecular Weight354.54 g/mol
Exact Mass354.28
IUPAC Name4-N-butyl-5-[4-(3,4-diethylphenyl)butyl]pyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)ncc1CCCCc1ccc(CC)c(CC)c1
InChIInChI=1S/C22H34N4/c1-4-7-14-24-21-20(16-25-22(23)26-21)11-9-8-10-17-12-13-18(5-2)19(6-3)15-17/h12-13,15-16H,4-11,14H2,1-3H3,(H3,23,24,25,26)
InChIKeyTWHCYPJERRDAGX-UHFFFAOYSA-N
XLogP4.96
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 54.96
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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Related Compounds

4-N-butyl-5-hexylpyrimidine-2,4-diamine
CID 123602752
4-N-butyl-5-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 134568943
4-N-butyl-5-[2-(diazet-3-yl)ethyl]pyrimidine-2,4-diamine
CID 134569298
4-N-butyl-5-[3-(3-ethoxy-4-methylphenyl)propoxy]pyrimidine-2,4-diamine
CID 134569380
4-N-butyl-5-[(4-ethylphenyl)methylsulfanyl]pyrimidine-2,4-diamine
CID 134569001
4-(3,4-diethylphenyl)-N-propylbutan-1-amine
CID 115483369
1-[[2-amino-4-(butylamino)pyrimidin-5-yl]methyl]-3-fluoropyridin-2-one
CID 121288798
4-(3,4-diethylphenyl)butan-1-amine
CID 115483378
CID 89037212
CID 89037212
4-N-[3-(4-chloropyrazol-1-yl)propyl]-5-ethylpyrimidine-2,4-diamine
CID 72904629
5-[2-[6-[1-(methylamino)ethenyl]-2-pyridinyl]ethyl]-4-N-pentylpyrimidine-2,4-diamine
CID 134569005
4-N-butyl-5-[2-(4-cyclopentyloxy-5-methoxy-2-pyridinyl)ethyl]pyrimidine-2,4-diamine
CID 134569274

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-5-[4-(3,4-diethylphenyl)butyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-5-[4-(3,4-diethylphenyl)butyl]pyrimidine-2,4-diamine (CID 134569287) is 4-N-butyl-5-[4-(3,4-diethylphenyl)butyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-5-[4-(3,4-diethylphenyl)butyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-5-[4-(3,4-diethylphenyl)butyl]pyrimidine-2,4-diamine is CCCCNc1nc(N)ncc1CCCCc1ccc(CC)c(CC)c1.
What is the InChIKey of 4-N-butyl-5-[4-(3,4-diethylphenyl)butyl]pyrimidine-2,4-diamine?
The InChIKey is TWHCYPJERRDAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4/c1-4-7-14-24-21-20(16-25-22(23)26-21)11-9-8-10-17-12-13-18(5-2)19(6-3)15-17/h12-13,15-16H,4-11,14H2,1-3H3,(H3,23,24,25,26).
What are the key properties of 4-N-butyl-5-[4-(3,4-diethylphenyl)butyl]pyrimidine-2,4-diamine?
4-N-butyl-5-[4-(3,4-diethylphenyl)butyl]pyrimidine-2,4-diamine has a molecular weight of 354.54 g/mol, XLogP of 4.96, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-5-[4-(3,4-diethylphenyl)butyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 134569287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).