4-N-(cyclobutylmethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine

C12H21N5 — CID 80825415

IUPAC4-N-(cyclobutylmethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(N(C)CC2CCC2)nc(N)n1
InChIInChI=1S/C12H21N5/c1-3-14-10-7-11(16-12(13)15-10)17(2)8-9-5-4-6-9/h7,9H,3-6,8H2,1-2H3,(H3,13,14,15,16)
InChIKeyJOSAQCGEJKPWHT-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.73
Rot. Bonds5

About 4-N-(cyclobutylmethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine

4-N-(cyclobutylmethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine (PubChem CID 80825415) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-N-(cyclobutylmethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(cyclobutylmethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine
PubChem CID80825415
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name4-N-(cyclobutylmethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(N(C)CC2CCC2)nc(N)n1
InChIInChI=1S/C12H21N5/c1-3-14-10-7-11(16-12(13)15-10)17(2)8-9-5-4-6-9/h7,9H,3-6,8H2,1-2H3,(H3,13,14,15,16)
InChIKeyJOSAQCGEJKPWHT-UHFFFAOYSA-N
XLogP1.73
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(cyclohexylmethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine
CID 80799499
4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80799090
4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine
CID 80820583
2-tert-butyl-4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80967633
4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770982
4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine
CID 80793610
4-N-(cyclohexylmethyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80783942
6-N-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4,6-triamine
CID 80847003
4-N,4-N,6-N-triethylpyrimidine-2,4,6-triamine
CID 80767083
6-N-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine
CID 80943022
2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 80799693
4-N-(2-cyclohexylethyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80791193

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclobutylmethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(cyclobutylmethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine (CID 80825415) is 4-N-(cyclobutylmethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(cyclobutylmethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(cyclobutylmethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine is CCNc1cc(N(C)CC2CCC2)nc(N)n1.
What is the InChIKey of 4-N-(cyclobutylmethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine?
The InChIKey is JOSAQCGEJKPWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-3-14-10-7-11(16-12(13)15-10)17(2)8-9-5-4-6-9/h7,9H,3-6,8H2,1-2H3,(H3,13,14,15,16).
What are the key properties of 4-N-(cyclobutylmethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine?
4-N-(cyclobutylmethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine has a molecular weight of 235.33 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclobutylmethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80825415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).