6-N-ethyl-4-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4,6-triamine

C16H27N5 — CID 80824334

IUPAC6-N-ethyl-4-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4,6-triamine
SMILESCCNc1cc(NC2C3(C)CCC(C3)C2(C)C)nc(N)n1
InChIInChI=1S/C16H27N5/c1-5-18-11-8-12(21-14(17)20-11)19-13-15(2,3)10-6-7-16(13,4)9-10/h8,10,13H,5-7,9H2,1-4H3,(H4,17,18,19,20,21)
InChIKeyNPFGGRGHJBDAMV-UHFFFAOYSA-N
MW289.43 g/mol
LogP3.12
Rot. Bonds4

About 6-N-ethyl-4-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4,6-triamine

6-N-ethyl-4-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4,6-triamine (PubChem CID 80824334) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4,6-triamine
PubChem CID80824334
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name6-N-ethyl-4-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4,6-triamine
SMILESCCNc1cc(NC2C3(C)CCC(C3)C2(C)C)nc(N)n1
InChIInChI=1S/C16H27N5/c1-5-18-11-8-12(21-14(17)20-11)19-13-15(2,3)10-6-7-16(13,4)9-10/h8,10,13H,5-7,9H2,1-4H3,(H4,17,18,19,20,21)
InChIKeyNPFGGRGHJBDAMV-UHFFFAOYSA-N
XLogP3.12
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-N-ethyl-4-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4,6-triamine with MolForge

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Related Compounds

6-hydrazinyl-4-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4-diamine
CID 80917975
4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80766375
4-N-(2,2-dimethylcyclopentyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80850169
2-ethyl-4-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1H-pyrimidin-6-one
CID 136975923
6-chloro-4-N-ethyl-2-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3,5-triazine-2,4-diamine
CID 80823245
2-chloro-6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-4-carbonitrile
CID 83077251
6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-2-carbothioamide
CID 64596471
(1R,4S)-N-(3,5-dichlorophenyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400287
4-N-(3,5-dimethylcyclohexyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80840975
(1R,4S)-N-(2,4-dichlorophenyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400265
4-N-tert-butyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80768954
6-N-ethyl-4-N-(4-methyloxan-4-yl)pyrimidine-2,4,6-triamine
CID 113491377

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-ethyl-4-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4,6-triamine (CID 80824334) is 6-N-ethyl-4-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-ethyl-4-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-ethyl-4-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4,6-triamine is CCNc1cc(NC2C3(C)CCC(C3)C2(C)C)nc(N)n1.
What is the InChIKey of 6-N-ethyl-4-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4,6-triamine?
The InChIKey is NPFGGRGHJBDAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-5-18-11-8-12(21-14(17)20-11)19-13-15(2,3)10-6-7-16(13,4)9-10/h8,10,13H,5-7,9H2,1-4H3,(H4,17,18,19,20,21).
What are the key properties of 6-N-ethyl-4-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4,6-triamine?
6-N-ethyl-4-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4,6-triamine has a molecular weight of 289.43 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80824334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).