1-[(3R)-8-methyl-3,4-dihydro-2H-chromen-3-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea

C16H18N4O3 — CID 125143289

IUPAC1-[(3R)-8-methyl-3,4-dihydro-2H-chromen-3-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea
SMILESCc1cccc2c1OC[C@H](NC(=O)Nc1nccn(C)c1=O)C2
InChIInChI=1S/C16H18N4O3/c1-10-4-3-5-11-8-12(9-23-13(10)11)18-16(22)19-14-15(21)20(2)7-6-17-14/h3-7,12H,8-9H2,1-2H3,(H2,17,18,19,22)/t12-/m1/s1
InChIKeyUGUOVLPAEYIDOA-GFCCVEGCSA-N
MW314.35 g/mol
LogP1.21
Rot. Bonds2

About 1-[(3R)-8-methyl-3,4-dihydro-2H-chromen-3-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea

1-[(3R)-8-methyl-3,4-dihydro-2H-chromen-3-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea (PubChem CID 125143289) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 1-[(3R)-8-methyl-3,4-dihydro-2H-chromen-3-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea.

Molecular Properties

Compound Name1-[(3R)-8-methyl-3,4-dihydro-2H-chromen-3-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea
PubChem CID125143289
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name1-[(3R)-8-methyl-3,4-dihydro-2H-chromen-3-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea
SMILESCc1cccc2c1OC[C@H](NC(=O)Nc1nccn(C)c1=O)C2
InChIInChI=1S/C16H18N4O3/c1-10-4-3-5-11-8-12(9-23-13(10)11)18-16(22)19-14-15(21)20(2)7-6-17-14/h3-7,12H,8-9H2,1-2H3,(H2,17,18,19,22)/t12-/m1/s1
InChIKeyUGUOVLPAEYIDOA-GFCCVEGCSA-N
XLogP1.21
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-8-methyl-3,4-dihydro-2H-chromen-3-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea?
The IUPAC name of 1-[(3R)-8-methyl-3,4-dihydro-2H-chromen-3-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea (CID 125143289) is 1-[(3R)-8-methyl-3,4-dihydro-2H-chromen-3-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea.
What is the SMILES notation for 1-[(3R)-8-methyl-3,4-dihydro-2H-chromen-3-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea?
The canonical SMILES for 1-[(3R)-8-methyl-3,4-dihydro-2H-chromen-3-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea is Cc1cccc2c1OC[C@H](NC(=O)Nc1nccn(C)c1=O)C2.
What is the InChIKey of 1-[(3R)-8-methyl-3,4-dihydro-2H-chromen-3-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea?
The InChIKey is UGUOVLPAEYIDOA-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-10-4-3-5-11-8-12(9-23-13(10)11)18-16(22)19-14-15(21)20(2)7-6-17-14/h3-7,12H,8-9H2,1-2H3,(H2,17,18,19,22)/t12-/m1/s1.
What are the key properties of 1-[(3R)-8-methyl-3,4-dihydro-2H-chromen-3-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea?
1-[(3R)-8-methyl-3,4-dihydro-2H-chromen-3-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea has a molecular weight of 314.35 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-8-methyl-3,4-dihydro-2H-chromen-3-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea is sourced from PubChem (CID 125143289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).