3-ethyl-6-[(3R)-3-(1,8-naphthyridin-4-ylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-dione

C18H20N6O2 — CID 146112985

IUPAC3-ethyl-6-[(3R)-3-(1,8-naphthyridin-4-ylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-dione
SMILESCCn1c(=O)cc(N2CC[C@@H](Nc3ccnc4ncccc34)C2)[nH]c1=O
InChIInChI=1S/C18H20N6O2/c1-2-24-16(25)10-15(22-18(24)26)23-9-6-12(11-23)21-14-5-8-20-17-13(14)4-3-7-19-17/h3-5,7-8,10,12H,2,6,9,11H2,1H3,(H,22,26)(H,19,20,21)/t12-/m1/s1
InChIKeyZTWOMVPOQMSYBH-GFCCVEGCSA-N
MW352.40 g/mol
LogP1.19
Rot. Bonds4

About 3-ethyl-6-[(3R)-3-(1,8-naphthyridin-4-ylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-dione

3-ethyl-6-[(3R)-3-(1,8-naphthyridin-4-ylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-dione (PubChem CID 146112985) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 3-ethyl-6-[(3R)-3-(1,8-naphthyridin-4-ylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-6-[(3R)-3-(1,8-naphthyridin-4-ylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-dione
PubChem CID146112985
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name3-ethyl-6-[(3R)-3-(1,8-naphthyridin-4-ylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-dione
SMILESCCn1c(=O)cc(N2CC[C@@H](Nc3ccnc4ncccc34)C2)[nH]c1=O
InChIInChI=1S/C18H20N6O2/c1-2-24-16(25)10-15(22-18(24)26)23-9-6-12(11-23)21-14-5-8-20-17-13(14)4-3-7-19-17/h3-5,7-8,10,12H,2,6,9,11H2,1H3,(H,22,26)(H,19,20,21)/t12-/m1/s1
InChIKeyZTWOMVPOQMSYBH-GFCCVEGCSA-N
XLogP1.19
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-ethyl-6-[(3S)-3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]-1H-pyrimidine-2,4-dione
CID 166331833
N-[(3R)-1-(3-ethyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide
CID 167871392
6-[(3R)-3-(furo[2,3-b]pyridin-2-ylmethylamino)pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
CID 167912577
3-methyl-6-[(3S)-3-[(1-phenylimidazol-2-yl)methylamino]pyrrolidin-1-yl]-1H-pyrimidine-2,4-dione
CID 167814865
N-[(3R)-1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 166354780
8-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)quinolin-4-amine
CID 91650180
N-(1-methylpyrrolidin-3-yl)quinolin-5-amine
CID 62975948
N-[(3S)-1-ethylpiperidin-3-yl]benzo[g]quinolin-4-amine
CID 6962816
3-methyl-6-(3-pyrazol-1-ylpyrrolidin-1-yl)-1H-pyrimidine-2,4-dione
CID 126946488
6-(4-ethylpiperazin-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
CID 7080709
(3R)-N-ethyl-1-(3-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 123715636
4-methyl-1-[(3R)-3-(quinolin-4-ylamino)pyrrolidin-1-yl]pent-2-en-1-one
CID 123303956

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-[(3R)-3-(1,8-naphthyridin-4-ylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-ethyl-6-[(3R)-3-(1,8-naphthyridin-4-ylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-dione (CID 146112985) is 3-ethyl-6-[(3R)-3-(1,8-naphthyridin-4-ylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-ethyl-6-[(3R)-3-(1,8-naphthyridin-4-ylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-ethyl-6-[(3R)-3-(1,8-naphthyridin-4-ylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-dione is CCn1c(=O)cc(N2CC[C@@H](Nc3ccnc4ncccc34)C2)[nH]c1=O.
What is the InChIKey of 3-ethyl-6-[(3R)-3-(1,8-naphthyridin-4-ylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is ZTWOMVPOQMSYBH-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-2-24-16(25)10-15(22-18(24)26)23-9-6-12(11-23)21-14-5-8-20-17-13(14)4-3-7-19-17/h3-5,7-8,10,12H,2,6,9,11H2,1H3,(H,22,26)(H,19,20,21)/t12-/m1/s1.
What are the key properties of 3-ethyl-6-[(3R)-3-(1,8-naphthyridin-4-ylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-dione?
3-ethyl-6-[(3R)-3-(1,8-naphthyridin-4-ylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 352.40 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-[(3R)-3-(1,8-naphthyridin-4-ylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 146112985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).