4-N,4-N-diethylpyrimidine-2,4,6-triamine

C8H15N5 — CID 54157511

IUPAC4-N,4-N-diethylpyrimidine-2,4,6-triamine
SMILESCCN(CC)c1cc(N)nc(N)n1
InChIInChI=1S/C8H15N5/c1-3-13(4-2)7-5-6(9)11-8(10)12-7/h5H,3-4H2,1-2H3,(H4,9,10,11,12)
InChIKeyOMCXLIAQPPOTIC-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.49
Rot. Bonds3

About 4-N,4-N-diethylpyrimidine-2,4,6-triamine

4-N,4-N-diethylpyrimidine-2,4,6-triamine (PubChem CID 54157511) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-N,4-N-diethylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N,4-N-diethylpyrimidine-2,4,6-triamine
PubChem CID54157511
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name4-N,4-N-diethylpyrimidine-2,4,6-triamine
SMILESCCN(CC)c1cc(N)nc(N)n1
InChIInChI=1S/C8H15N5/c1-3-13(4-2)7-5-6(9)11-8(10)12-7/h5H,3-4H2,1-2H3,(H4,9,10,11,12)
InChIKeyOMCXLIAQPPOTIC-UHFFFAOYSA-N
XLogP0.49
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,6-Triaminopyrimidine
CID 13863
N4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
CID 17773877
2,4-Diamino-6-piperidinopyrimidine
CID 606255
n4-Butyl-6-chloropyrimidine-2,4-diamine
CID 229862
6-Chloro-N~4~,N~4~-diethylpyrimidine-2,4-diamine
CID 1484287
Pyrimidine-4,6-diamine
CID 79608
6-(4-Methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 753256
N4-Methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 25129179
4-N-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
CID 16202258
(R)-N4-isobutyl-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 24745337
4-Chloro-6-(pyrrolidin-1-yl)pyrimidin-2-amine
CID 1481938
2-Methylthiopyrimidine-4,6-diamine
CID 70497

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N,4-N-diethylpyrimidine-2,4,6-triamine (CID 54157511) is 4-N,4-N-diethylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N,4-N-diethylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N,4-N-diethylpyrimidine-2,4,6-triamine is CCN(CC)c1cc(N)nc(N)n1.
What is the InChIKey of 4-N,4-N-diethylpyrimidine-2,4,6-triamine?
The InChIKey is OMCXLIAQPPOTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-3-13(4-2)7-5-6(9)11-8(10)12-7/h5H,3-4H2,1-2H3,(H4,9,10,11,12).
What are the key properties of 4-N,4-N-diethylpyrimidine-2,4,6-triamine?
4-N,4-N-diethylpyrimidine-2,4,6-triamine has a molecular weight of 181.24 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 54157511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).