1-(6-methoxypyrimidin-4-yl)-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea

C14H18N6O3 — CID 129005975

IUPAC1-(6-methoxypyrimidin-4-yl)-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea
SMILESCOc1cc(NC(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2)ncn1
InChIInChI=1S/C14H18N6O3/c1-20-7-9(6-17-20)13-10(3-4-23-13)18-14(21)19-11-5-12(22-2)16-8-15-11/h5-8,10,13H,3-4H2,1-2H3,(H2,15,16,18,19,21)/t10-,13+/m0/s1
InChIKeyPMISZAPSIDTDES-GXFFZTMASA-N
MW318.34 g/mol
LogP0.87
Rot. Bonds4

About 1-(6-methoxypyrimidin-4-yl)-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea

1-(6-methoxypyrimidin-4-yl)-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea (PubChem CID 129005975) has the molecular formula C14H18N6O3 and a molecular weight of 318.34 g/mol. Its IUPAC name is 1-(6-methoxypyrimidin-4-yl)-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea.

Molecular Properties

Compound Name1-(6-methoxypyrimidin-4-yl)-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea
PubChem CID129005975
Molecular FormulaC14H18N6O3
Molecular Weight318.34 g/mol
Exact Mass318.14
IUPAC Name1-(6-methoxypyrimidin-4-yl)-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea
SMILESCOc1cc(NC(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2)ncn1
InChIInChI=1S/C14H18N6O3/c1-20-7-9(6-17-20)13-10(3-4-23-13)18-14(21)19-11-5-12(22-2)16-8-15-11/h5-8,10,13H,3-4H2,1-2H3,(H2,15,16,18,19,21)/t10-,13+/m0/s1
InChIKeyPMISZAPSIDTDES-GXFFZTMASA-N
XLogP0.87
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-(1,2-oxazol-3-yl)urea
CID 128968666
1-[(2-fluorophenyl)methyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea
CID 128968627
1-[(2S,3R)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]-3-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]urea
CID 126825331
trans-(1R,2R)-2-cyclopropyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-carboxamide
CID 129400376
1-[(1R)-1-(2,6-dimethylphenyl)ethyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea
CID 100630575
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 128975029
N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,7-naphthyridine-8-carboxamide
CID 136586548
1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]urea
CID 129475287
(2S)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2-phenylpropanamide
CID 129006215
2-[2-(difluoromethoxy)phenyl]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide
CID 126784719
(2S,3S)-N-(6-methoxy-2-methyl-3-pyridinyl)-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
CID 128973421
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
CID 129006244

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyrimidin-4-yl)-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea?
The IUPAC name of 1-(6-methoxypyrimidin-4-yl)-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea (CID 129005975) is 1-(6-methoxypyrimidin-4-yl)-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea.
What is the SMILES notation for 1-(6-methoxypyrimidin-4-yl)-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea?
The canonical SMILES for 1-(6-methoxypyrimidin-4-yl)-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea is COc1cc(NC(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2)ncn1.
What is the InChIKey of 1-(6-methoxypyrimidin-4-yl)-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea?
The InChIKey is PMISZAPSIDTDES-GXFFZTMASA-N. The full InChI is InChI=1S/C14H18N6O3/c1-20-7-9(6-17-20)13-10(3-4-23-13)18-14(21)19-11-5-12(22-2)16-8-15-11/h5-8,10,13H,3-4H2,1-2H3,(H2,15,16,18,19,21)/t10-,13+/m0/s1.
What are the key properties of 1-(6-methoxypyrimidin-4-yl)-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea?
1-(6-methoxypyrimidin-4-yl)-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea has a molecular weight of 318.34 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyrimidin-4-yl)-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea is sourced from PubChem (CID 129005975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).