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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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).