3-cyclohexyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1H-pyrimidine-2,4-dione

C19H23N3O2 — CID 3236283

IUPAC3-cyclohexyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(N2CCc3ccccc3C2)[nH]c(=O)n1C1CCCCC1
InChIInChI=1S/C19H23N3O2/c23-18-12-17(20-19(24)22(18)16-8-2-1-3-9-16)21-11-10-14-6-4-5-7-15(14)13-21/h4-7,12,16H,1-3,8-11,13H2,(H,20,24)
InChIKeyOMNCUUCOPOMDBB-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.60
Rot. Bonds2

About 3-cyclohexyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1H-pyrimidine-2,4-dione

3-cyclohexyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1H-pyrimidine-2,4-dione (PubChem CID 3236283) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-cyclohexyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-cyclohexyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1H-pyrimidine-2,4-dione
PubChem CID3236283
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-cyclohexyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(N2CCc3ccccc3C2)[nH]c(=O)n1C1CCCCC1
InChIInChI=1S/C19H23N3O2/c23-18-12-17(20-19(24)22(18)16-8-2-1-3-9-16)21-11-10-14-6-4-5-7-15(14)13-21/h4-7,12,16H,1-3,8-11,13H2,(H,20,24)
InChIKeyOMNCUUCOPOMDBB-UHFFFAOYSA-N
XLogP2.60
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Mavacamten
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Aryl bispyrimidine
CID 2815029
6-amino-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 2579979
4-Phenyl-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one
CID 4310916
2-((6-(3-Amino-1-piperidinyl)-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl)benzonitrile
CID 11163584
Unii-625uxd6cji
CID 11278798
1-[6-(Tritylamino)hexyl]pyrimidine-2,4-dione
CID 11568685
1-[4-(Tritylamino)butyl]pyrimidine-2,4-dione
CID 11604271
2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-ethyl-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile
CID 11772582
2-({6-[(3R)-3-Aminopiperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}methyl)benzonitrile hydrochloride
CID 44590827

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-cyclohexyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1H-pyrimidine-2,4-dione (CID 3236283) is 3-cyclohexyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-cyclohexyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-cyclohexyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1H-pyrimidine-2,4-dione is O=c1cc(N2CCc3ccccc3C2)[nH]c(=O)n1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is OMNCUUCOPOMDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-18-12-17(20-19(24)22(18)16-8-2-1-3-9-16)21-11-10-14-6-4-5-7-15(14)13-21/h4-7,12,16H,1-3,8-11,13H2,(H,20,24).
What are the key properties of 3-cyclohexyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1H-pyrimidine-2,4-dione?
3-cyclohexyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 325.41 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3236283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).