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

C14H20N4O3 — CID 125139278

IUPAC1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(2-methoxypyrimidin-4-yl)urea
SMILESCOc1nccc(NC(=O)N[C@H]2CCO[C@H](C3CC3)C2)n1
InChIInChI=1S/C14H20N4O3/c1-20-14-15-6-4-12(18-14)17-13(19)16-10-5-7-21-11(8-10)9-2-3-9/h4,6,9-11H,2-3,5,7-8H2,1H3,(H2,15,16,17,18,19)/t10-,11-/m0/s1
InChIKeyBVPYYMAOCQUAHK-QWRGUYRKSA-N
MW292.34 g/mol
LogP1.56
Rot. Bonds4

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

1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(2-methoxypyrimidin-4-yl)urea (PubChem CID 125139278) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(2-methoxypyrimidin-4-yl)urea.

Molecular Properties

Compound Name1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(2-methoxypyrimidin-4-yl)urea
PubChem CID125139278
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(2-methoxypyrimidin-4-yl)urea
SMILESCOc1nccc(NC(=O)N[C@H]2CCO[C@H](C3CC3)C2)n1
InChIInChI=1S/C14H20N4O3/c1-20-14-15-6-4-12(18-14)17-13(19)16-10-5-7-21-11(8-10)9-2-3-9/h4,6,9-11H,2-3,5,7-8H2,1H3,(H2,15,16,17,18,19)/t10-,11-/m0/s1
InChIKeyBVPYYMAOCQUAHK-QWRGUYRKSA-N
XLogP1.56
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-methoxypyrimidin-4-yl)urea
CID 125139276
1-(2-methoxypyrimidin-4-yl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 136540973
1-(2-cyclopropyloxan-4-yl)-3-[2-(difluoromethoxy)-5-fluorophenyl]urea
CID 75507899
1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 124598623
1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(2-methyl-3-methylsulfanylphenyl)urea
CID 125137959
(2R,3R)-N-(2-methoxypyrimidin-4-yl)-3-methyl-2-phenylazetidine-1-carboxamide
CID 125139334
1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-[(1S)-3-methyl-1-pyridin-2-ylbutyl]urea
CID 97308610
methyl 6-[(2-cyclopropyloxan-4-yl)amino]pyridazine-3-carboxylate
CID 133473769
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
N-(2-cyclopropyloxan-4-yl)-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
CID 102554000
1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(2R)-2-(4-methylphenoxy)propyl]urea
CID 129374206

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(2-methoxypyrimidin-4-yl)urea?
The IUPAC name of 1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(2-methoxypyrimidin-4-yl)urea (CID 125139278) is 1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(2-methoxypyrimidin-4-yl)urea.
What is the SMILES notation for 1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(2-methoxypyrimidin-4-yl)urea?
The canonical SMILES for 1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(2-methoxypyrimidin-4-yl)urea is COc1nccc(NC(=O)N[C@H]2CCO[C@H](C3CC3)C2)n1.
What is the InChIKey of 1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(2-methoxypyrimidin-4-yl)urea?
The InChIKey is BVPYYMAOCQUAHK-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-20-14-15-6-4-12(18-14)17-13(19)16-10-5-7-21-11(8-10)9-2-3-9/h4,6,9-11H,2-3,5,7-8H2,1H3,(H2,15,16,17,18,19)/t10-,11-/m0/s1.
What are the key properties of 1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(2-methoxypyrimidin-4-yl)urea?
1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(2-methoxypyrimidin-4-yl)urea has a molecular weight of 292.34 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(2-methoxypyrimidin-4-yl)urea is sourced from PubChem (CID 125139278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).