4-N-butyl-4-N,6-N-diethyl-5-methylpyrimidine-4,6-diamine

C13H24N4 — CID 80757752

IUPAC4-N-butyl-4-N,6-N-diethyl-5-methylpyrimidine-4,6-diamine
SMILESCCCCN(CC)c1ncnc(NCC)c1C
InChIInChI=1S/C13H24N4/c1-5-8-9-17(7-3)13-11(4)12(14-6-2)15-10-16-13/h10H,5-9H2,1-4H3,(H,14,15,16)
InChIKeyQREJSPGBUJSUMB-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.84
Rot. Bonds7

About 4-N-butyl-4-N,6-N-diethyl-5-methylpyrimidine-4,6-diamine

4-N-butyl-4-N,6-N-diethyl-5-methylpyrimidine-4,6-diamine (PubChem CID 80757752) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-N-butyl-4-N,6-N-diethyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butyl-4-N,6-N-diethyl-5-methylpyrimidine-4,6-diamine
PubChem CID80757752
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name4-N-butyl-4-N,6-N-diethyl-5-methylpyrimidine-4,6-diamine
SMILESCCCCN(CC)c1ncnc(NCC)c1C
InChIInChI=1S/C13H24N4/c1-5-8-9-17(7-3)13-11(4)12(14-6-2)15-10-16-13/h10H,5-9H2,1-4H3,(H,14,15,16)
InChIKeyQREJSPGBUJSUMB-UHFFFAOYSA-N
XLogP2.84
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-6-chloro-N-ethyl-5-methylpyrimidin-4-amine
CID 63735068
4-N-butyl-4-N-ethyl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80753718
4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80834597
2-[[6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]ethanol
CID 80771507
6-N-ethyl-4-N,5-dimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine
CID 80792480
4-N,4-N,6-N-triethylpyrimidine-4,5,6-triamine
CID 19135168
6-N-ethyl-5-methyl-4-N-octylpyrimidine-4,6-diamine
CID 115565379
2-[[5-amino-6-(ethylamino)pyrimidin-4-yl]-ethylamino]ethanol
CID 19135193
4-N-(2-ethoxyethyl)-4-N,6-N-diethyl-5-propylpyrimidine-4,6-diamine
CID 80834161
4-N,6-N-diethyl-5-nitro-4-N-propylpyrimidine-4,6-diamine
CID 80773861
6-N,5-diethyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 80764406
4-N,6-N,5-triethyl-4-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 80808569

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-4-N,6-N-diethyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butyl-4-N,6-N-diethyl-5-methylpyrimidine-4,6-diamine (CID 80757752) is 4-N-butyl-4-N,6-N-diethyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butyl-4-N,6-N-diethyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butyl-4-N,6-N-diethyl-5-methylpyrimidine-4,6-diamine is CCCCN(CC)c1ncnc(NCC)c1C.
What is the InChIKey of 4-N-butyl-4-N,6-N-diethyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is QREJSPGBUJSUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-5-8-9-17(7-3)13-11(4)12(14-6-2)15-10-16-13/h10H,5-9H2,1-4H3,(H,14,15,16).
What are the key properties of 4-N-butyl-4-N,6-N-diethyl-5-methylpyrimidine-4,6-diamine?
4-N-butyl-4-N,6-N-diethyl-5-methylpyrimidine-4,6-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-4-N,6-N-diethyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80757752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).