4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpyrimidine-2,4-diamine

C15H28N4 — CID 80799138

IUPAC4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(N(CC)CC(CC)CC)n1
InChIInChI=1S/C15H28N4/c1-5-10-16-15-17-11-9-14(18-15)19(8-4)12-13(6-2)7-3/h9,11,13H,5-8,10,12H2,1-4H3,(H,16,17,18)
InChIKeyPVDRXGNRLUIWJY-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.56
Rot. Bonds9

About 4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpyrimidine-2,4-diamine

4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80799138) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID80799138
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(N(CC)CC(CC)CC)n1
InChIInChI=1S/C15H28N4/c1-5-10-16-15-17-11-9-14(18-15)19(8-4)12-13(6-2)7-3/h9,11,13H,5-8,10,12H2,1-4H3,(H,16,17,18)
InChIKeyPVDRXGNRLUIWJY-UHFFFAOYSA-N
XLogP3.56
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80805066
3-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 113469264
2-chloro-N-ethyl-N-(2-ethylbutyl)pyrimidin-4-amine
CID 62342460
2-N,4-N,4-N-triethylpyrimidine-2,4-diamine
CID 80766535
4-N-ethyl-4-N-(2-ethylbutyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80799829
4-N-(2-methoxypropyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 112754759
2-N-[3-(dimethylamino)propyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112887794
4-N-cyclopentyl-4-N-(2-methylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80854535
2-[butyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80821107
4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895475
4-N-ethyl-2-N-methyl-4-N-propylpyrimidine-2,4-diamine
CID 80775087
4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpyrimidine-2,4-diamine (CID 80799138) is 4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1nccc(N(CC)CC(CC)CC)n1.
What is the InChIKey of 4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is PVDRXGNRLUIWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-5-10-16-15-17-11-9-14(18-15)19(8-4)12-13(6-2)7-3/h9,11,13H,5-8,10,12H2,1-4H3,(H,16,17,18).
What are the key properties of 4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpyrimidine-2,4-diamine?
4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 264.42 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80799138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).