4-N,4-N,6-N,6-N-tetramethylpyrimidine-2,4,6-triamine

C8H15N5 — CID 23366638

IUPAC4-N,4-N,6-N,6-N-tetramethylpyrimidine-2,4,6-triamine
SMILESCN(C)c1cc(N(C)C)nc(N)n1
InChIInChI=1S/C8H15N5/c1-12(2)6-5-7(13(3)4)11-8(9)10-6/h5H,1-4H3,(H2,9,10,11)
InChIKeyMDFWRLUVKNZWCK-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.19
Rot. Bonds2

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

4-N,4-N,6-N,6-N-tetramethylpyrimidine-2,4,6-triamine (PubChem CID 23366638) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-N,4-N,6-N,6-N-tetramethylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N,4-N,6-N,6-N-tetramethylpyrimidine-2,4,6-triamine
PubChem CID23366638
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name4-N,4-N,6-N,6-N-tetramethylpyrimidine-2,4,6-triamine
SMILESCN(C)c1cc(N(C)C)nc(N)n1
InChIInChI=1S/C8H15N5/c1-12(2)6-5-7(13(3)4)11-8(9)10-6/h5H,1-4H3,(H2,9,10,11)
InChIKeyMDFWRLUVKNZWCK-UHFFFAOYSA-N
XLogP0.19
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.19
H-Bond Donors ≤ 51
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
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
2-Methylthiopyrimidine-4,6-diamine
CID 70497
4,6-Pyrimidinediamine, monohydrochloride
CID 79607
2,6-difluoro-N-methylpyrimidin-4-amine
CID 3941302
4-N-methyl-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
CID 21749035
4-(4-Methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-ylamine
CID 24798595

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N,6-N,6-N-tetramethylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N,4-N,6-N,6-N-tetramethylpyrimidine-2,4,6-triamine (CID 23366638) is 4-N,4-N,6-N,6-N-tetramethylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N,4-N,6-N,6-N-tetramethylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N,4-N,6-N,6-N-tetramethylpyrimidine-2,4,6-triamine is CN(C)c1cc(N(C)C)nc(N)n1.
What is the InChIKey of 4-N,4-N,6-N,6-N-tetramethylpyrimidine-2,4,6-triamine?
The InChIKey is MDFWRLUVKNZWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-12(2)6-5-7(13(3)4)11-8(9)10-6/h5H,1-4H3,(H2,9,10,11).
What are the key properties of 4-N,4-N,6-N,6-N-tetramethylpyrimidine-2,4,6-triamine?
4-N,4-N,6-N,6-N-tetramethylpyrimidine-2,4,6-triamine has a molecular weight of 181.24 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,6-N,6-N-tetramethylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 23366638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).