1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea

C16H20N6O2 — CID 124598623

IUPAC1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
SMILESO=C(Nc1cnn(-c2ncccn2)c1)N[C@H]1CCO[C@H](C2CC2)C1
InChIInChI=1S/C16H20N6O2/c23-16(20-12-4-7-24-14(8-12)11-2-3-11)21-13-9-19-22(10-13)15-17-5-1-6-18-15/h1,5-6,9-12,14H,2-4,7-8H2,(H2,20,21,23)/t12-,14-/m0/s1
InChIKeyRNNUCYPOKLIXSK-JSGCOSHPSA-N
MW328.38 g/mol
LogP1.74
Rot. Bonds4

About 1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea

1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea (PubChem CID 124598623) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
PubChem CID124598623
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
SMILESO=C(Nc1cnn(-c2ncccn2)c1)N[C@H]1CCO[C@H](C2CC2)C1
InChIInChI=1S/C16H20N6O2/c23-16(20-12-4-7-24-14(8-12)11-2-3-11)21-13-9-19-22(10-13)15-17-5-1-6-18-15/h1,5-6,9-12,14H,2-4,7-8H2,(H2,20,21,23)/t12-,14-/m0/s1
InChIKeyRNNUCYPOKLIXSK-JSGCOSHPSA-N
XLogP1.74
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea with MolForge

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Related Compounds

1-[(3S)-1-phenylpyrrolidin-3-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 124507997
1-(1-pyrimidin-2-ylpyrazol-4-yl)-3-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea
CID 124608238
1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(2-methoxypyrimidin-4-yl)urea
CID 125139278
1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-methoxypyrimidin-4-yl)urea
CID 125139276
1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(2-methyl-3-methylsulfanylphenyl)urea
CID 125137959
1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-[(1S)-3-methyl-1-pyridin-2-ylbutyl]urea
CID 97308610
N-(1-pyrimidin-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119328811
N-(2-cyclopropyloxan-4-yl)pyridin-2-amine
CID 133473667
1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]urea
CID 124888151
1-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-3-[1-(2-fluorophenyl)pyrazol-4-yl]urea
CID 86770951
1-cyclobutyl-3-(1-methylpyrazol-4-yl)urea
CID 115617906
1-cyclopentyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597838

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea?
The IUPAC name of 1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea (CID 124598623) is 1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea?
The canonical SMILES for 1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea is O=C(Nc1cnn(-c2ncccn2)c1)N[C@H]1CCO[C@H](C2CC2)C1.
What is the InChIKey of 1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea?
The InChIKey is RNNUCYPOKLIXSK-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H20N6O2/c23-16(20-12-4-7-24-14(8-12)11-2-3-11)21-13-9-19-22(10-13)15-17-5-1-6-18-15/h1,5-6,9-12,14H,2-4,7-8H2,(H2,20,21,23)/t12-,14-/m0/s1.
What are the key properties of 1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea?
1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea has a molecular weight of 328.38 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea is sourced from PubChem (CID 124598623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).