4-N,4-N-dimethyl-2-N-phenyl-6-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4,6-triamine

C22H31N5 — CID 68562505

IUPAC4-N,4-N-dimethyl-2-N-phenyl-6-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4,6-triamine
SMILESCN(C)c1cc(NC2CC3CCC2(C)C3(C)C)nc(Nc2ccccc2)n1
InChIInChI=1S/C22H31N5/c1-21(2)15-11-12-22(21,3)17(13-15)24-18-14-19(27(4)5)26-20(25-18)23-16-9-7-6-8-10-16/h6-10,14-15,17H,11-13H2,1-5H3,(H2,23,24,25,26)
InChIKeyMRBZAQZHUCJPPW-UHFFFAOYSA-N
MW365.53 g/mol
LogP4.91
Rot. Bonds5

About 4-N,4-N-dimethyl-2-N-phenyl-6-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4,6-triamine

4-N,4-N-dimethyl-2-N-phenyl-6-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4,6-triamine (PubChem CID 68562505) has the molecular formula C22H31N5 and a molecular weight of 365.53 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-2-N-phenyl-6-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-2-N-phenyl-6-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4,6-triamine
PubChem CID68562505
Molecular FormulaC22H31N5
Molecular Weight365.53 g/mol
Exact Mass365.26
IUPAC Name4-N,4-N-dimethyl-2-N-phenyl-6-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4,6-triamine
SMILESCN(C)c1cc(NC2CC3CCC2(C)C3(C)C)nc(Nc2ccccc2)n1
InChIInChI=1S/C22H31N5/c1-21(2)15-11-12-22(21,3)17(13-15)24-18-14-19(27(4)5)26-20(25-18)23-16-9-7-6-8-10-16/h6-10,14-15,17H,11-13H2,1-5H3,(H2,23,24,25,26)
InChIKeyMRBZAQZHUCJPPW-UHFFFAOYSA-N
XLogP4.91
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.53
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-2-N-phenyl-6-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N,4-N-dimethyl-2-N-phenyl-6-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4,6-triamine (CID 68562505) is 4-N,4-N-dimethyl-2-N-phenyl-6-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N,4-N-dimethyl-2-N-phenyl-6-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N,4-N-dimethyl-2-N-phenyl-6-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4,6-triamine is CN(C)c1cc(NC2CC3CCC2(C)C3(C)C)nc(Nc2ccccc2)n1.
What is the InChIKey of 4-N,4-N-dimethyl-2-N-phenyl-6-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4,6-triamine?
The InChIKey is MRBZAQZHUCJPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5/c1-21(2)15-11-12-22(21,3)17(13-15)24-18-14-19(27(4)5)26-20(25-18)23-16-9-7-6-8-10-16/h6-10,14-15,17H,11-13H2,1-5H3,(H2,23,24,25,26).
What are the key properties of 4-N,4-N-dimethyl-2-N-phenyl-6-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4,6-triamine?
4-N,4-N-dimethyl-2-N-phenyl-6-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4,6-triamine has a molecular weight of 365.53 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-2-N-phenyl-6-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 68562505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).