6-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione

C16H19N3O2 — CID 43233616

IUPAC6-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CNC2CCc3ccccc32)cc(=O)n(C)c1=O
InChIInChI=1S/C16H19N3O2/c1-18-12(9-15(20)19(2)16(18)21)10-17-14-8-7-11-5-3-4-6-13(11)14/h3-6,9,14,17H,7-8,10H2,1-2H3
InChIKeyMFRXOEZMMRROEE-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.86
Rot. Bonds3

About 6-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 43233616) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 6-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID43233616
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name6-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CNC2CCc3ccccc32)cc(=O)n(C)c1=O
InChIInChI=1S/C16H19N3O2/c1-18-12(9-15(20)19(2)16(18)21)10-17-14-8-7-11-5-3-4-6-13(11)14/h3-6,9,14,17H,7-8,10H2,1-2H3
InChIKeyMFRXOEZMMRROEE-UHFFFAOYSA-N
XLogP0.86
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-6-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanylmethyl]pyrimidine-2,4-dione
CID 95317766
(1S)-N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 95177731
N-[(1-methylindol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 107234743
1-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]butyl]pyridin-2-one
CID 99577336
1-[4-(2,3-dihydro-1H-inden-1-ylamino)butyl]pyridin-2-one
CID 102553129
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid
CID 13100819
N-[(4-iodophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 65477774
N-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43181872
formic acid;(1S)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 53378998
5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]furan-3-carboxylic acid
CID 104608081
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43644936
3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]benzonitrile
CID 43181888

Frequently Asked Questions

What is the IUPAC name of 6-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 43233616) is 6-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(CNC2CCc3ccccc32)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is MFRXOEZMMRROEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-18-12(9-15(20)19(2)16(18)21)10-17-14-8-7-11-5-3-4-6-13(11)14/h3-6,9,14,17H,7-8,10H2,1-2H3.
What are the key properties of 6-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 285.35 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 43233616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).