4-N-(2,3-dihydro-1H-inden-5-yl)pyrimidine-2,4,6-triamine

C13H15N5 — CID 80763581

IUPAC4-N-(2,3-dihydro-1H-inden-5-yl)pyrimidine-2,4,6-triamine
SMILESNc1cc(Nc2ccc3c(c2)CCC3)nc(N)n1
InChIInChI=1S/C13H15N5/c14-11-7-12(18-13(15)17-11)16-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H5,14,15,16,17,18)
InChIKeyJPVBDKPQEHIUQG-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.87
Rot. Bonds2

About 4-N-(2,3-dihydro-1H-inden-5-yl)pyrimidine-2,4,6-triamine

4-N-(2,3-dihydro-1H-inden-5-yl)pyrimidine-2,4,6-triamine (PubChem CID 80763581) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 4-N-(2,3-dihydro-1H-inden-5-yl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(2,3-dihydro-1H-inden-5-yl)pyrimidine-2,4,6-triamine
PubChem CID80763581
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name4-N-(2,3-dihydro-1H-inden-5-yl)pyrimidine-2,4,6-triamine
SMILESNc1cc(Nc2ccc3c(c2)CCC3)nc(N)n1
InChIInChI=1S/C13H15N5/c14-11-7-12(18-13(15)17-11)16-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H5,14,15,16,17,18)
InChIKeyJPVBDKPQEHIUQG-UHFFFAOYSA-N
XLogP1.87
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770049
6-N-(2,3-dihydro-1H-inden-5-yl)pyridine-2,6-diamine
CID 80646724
N-(2,3-dihydro-1H-inden-5-yl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80927045
4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4,6-triamine
CID 80812289
N-(2,3-dihydro-1H-inden-5-yl)-6-fluoropyridin-2-amine
CID 61227803
2-N-(2,3-dihydro-1H-inden-5-yl)-5-methylpyridine-2,4-diamine
CID 83265215
6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-ethylpyrimidin-4-amine
CID 80944024
6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106766967
4-N-(4-methoxy-3-methylphenyl)pyrimidine-2,4,6-triamine
CID 80802485
4,6-dichloro-N-(2,3-dihydro-1H-inden-5-yl)-1,3,5-triazin-2-amine
CID 60725987
5-chloro-4-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3,4-diamine
CID 114285823
6-(2,3-dihydro-1H-inden-5-ylamino)pyrazine-2-carboxylic acid
CID 66458124

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dihydro-1H-inden-5-yl)pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(2,3-dihydro-1H-inden-5-yl)pyrimidine-2,4,6-triamine (CID 80763581) is 4-N-(2,3-dihydro-1H-inden-5-yl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(2,3-dihydro-1H-inden-5-yl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(2,3-dihydro-1H-inden-5-yl)pyrimidine-2,4,6-triamine is Nc1cc(Nc2ccc3c(c2)CCC3)nc(N)n1.
What is the InChIKey of 4-N-(2,3-dihydro-1H-inden-5-yl)pyrimidine-2,4,6-triamine?
The InChIKey is JPVBDKPQEHIUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c14-11-7-12(18-13(15)17-11)16-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H5,14,15,16,17,18).
What are the key properties of 4-N-(2,3-dihydro-1H-inden-5-yl)pyrimidine-2,4,6-triamine?
4-N-(2,3-dihydro-1H-inden-5-yl)pyrimidine-2,4,6-triamine has a molecular weight of 241.30 g/mol, XLogP of 1.87, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dihydro-1H-inden-5-yl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80763581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).