6-N-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4,6-triamine

C16H21N5 — CID 80797635

IUPAC6-N-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4,6-triamine
SMILESCCNc1cc(NC2CCCc3ccccc32)nc(N)n1
InChIInChI=1S/C16H21N5/c1-2-18-14-10-15(21-16(17)20-14)19-13-9-5-7-11-6-3-4-8-12(11)13/h3-4,6,8,10,13H,2,5,7,9H2,1H3,(H4,17,18,19,20,21)
InChIKeyMGLOBEQGCMLFLF-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.98
Rot. Bonds4

About 6-N-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4,6-triamine

6-N-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4,6-triamine (PubChem CID 80797635) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4,6-triamine
PubChem CID80797635
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name6-N-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4,6-triamine
SMILESCCNc1cc(NC2CCCc3ccccc32)nc(N)n1
InChIInChI=1S/C16H21N5/c1-2-18-14-10-15(21-16(17)20-14)19-13-9-5-7-11-6-3-4-8-12(11)13/h3-4,6,8,10,13H,2,5,7,9H2,1H3,(H4,17,18,19,20,21)
InChIKeyMGLOBEQGCMLFLF-UHFFFAOYSA-N
XLogP2.98
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-N-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-ethyl-2-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine
CID 67072813
6-ethoxy-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5-triazine-2,4-diamine
CID 80797018
4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80766375
2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 62784380
6-hydrazinyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazin-2-amine
CID 80908064
2-methyl-6-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
CID 127024314
6-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine
CID 63590242
6-chloro-2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 80546785
2-methyl-6-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 123793614
3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
CID 106258583
2-hydrazinyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 80907834
2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diamine
CID 62305429

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4,6-triamine (CID 80797635) is 6-N-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4,6-triamine is CCNc1cc(NC2CCCc3ccccc32)nc(N)n1.
What is the InChIKey of 6-N-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4,6-triamine?
The InChIKey is MGLOBEQGCMLFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-2-18-14-10-15(21-16(17)20-14)19-13-9-5-7-11-6-3-4-8-12(11)13/h3-4,6,8,10,13H,2,5,7,9H2,1H3,(H4,17,18,19,20,21).
What are the key properties of 6-N-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4,6-triamine?
6-N-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4,6-triamine has a molecular weight of 283.38 g/mol, XLogP of 2.98, 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-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80797635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).