4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine

C14H26N4 — CID 80946225

IUPAC4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine
SMILESCCCCNc1cc(NCCC)nc(CCC)n1
InChIInChI=1S/C14H26N4/c1-4-7-10-16-14-11-13(15-9-6-3)17-12(18-14)8-5-2/h11H,4-10H2,1-3H3,(H2,15,16,17,18)
InChIKeyWQUZOZGGPCCRLF-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.46
Rot. Bonds9

About 4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine

4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine (PubChem CID 80946225) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine
PubChem CID80946225
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine
SMILESCCCCNc1cc(NCCC)nc(CCC)n1
InChIInChI=1S/C14H26N4/c1-4-7-10-16-14-11-13(15-9-6-3)17-12(18-14)8-5-2/h11H,4-10H2,1-3H3,(H2,15,16,17,18)
InChIKeyWQUZOZGGPCCRLF-UHFFFAOYSA-N
XLogP3.46
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.46
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

6-N-methyl-4-N,2-dipropylpyrimidine-4,6-diamine
CID 80946214
6-hydrazinyl-N-octyl-2-propylpyrimidin-4-amine
CID 115565446
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821
4-N-[2-(diethylamino)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80940577
2-butyl-6-ethyl-N-propylpyrimidin-4-amine
CID 79413331
4-N-decyl-2-propylpyrimidine-4,6-diamine
CID 80943780
4-N-(2,3-dimethylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80949730
4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955537
methyl 3-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80954586
N-propyl-2-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80942500
3-[(6-amino-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 80954273
6-phenyl-N,2-dipropylpyrimidin-4-amine
CID 55193281

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine (CID 80946225) is 4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine is CCCCNc1cc(NCCC)nc(CCC)n1.
What is the InChIKey of 4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine?
The InChIKey is WQUZOZGGPCCRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-4-7-10-16-14-11-13(15-9-6-3)17-12(18-14)8-5-2/h11H,4-10H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine?
4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.46, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine is sourced from PubChem (CID 80946225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).