(2-cyclopropylpyrimidin-5-yl)methyl 3-(phenylcarbamoylamino)propanoate

C18H20N4O3 — CID 166270131

IUPAC(2-cyclopropylpyrimidin-5-yl)methyl 3-(phenylcarbamoylamino)propanoate
SMILESO=C(NCCC(=O)OCc1cnc(C2CC2)nc1)Nc1ccccc1
InChIInChI=1S/C18H20N4O3/c23-16(8-9-19-18(24)22-15-4-2-1-3-5-15)25-12-13-10-20-17(21-11-13)14-6-7-14/h1-5,10-11,14H,6-9,12H2,(H2,19,22,24)
InChIKeyCIODSOAGPRAUPV-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.61
Rot. Bonds7

About (2-cyclopropylpyrimidin-5-yl)methyl 3-(phenylcarbamoylamino)propanoate

(2-cyclopropylpyrimidin-5-yl)methyl 3-(phenylcarbamoylamino)propanoate (PubChem CID 166270131) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is (2-cyclopropylpyrimidin-5-yl)methyl 3-(phenylcarbamoylamino)propanoate.

Molecular Properties

Compound Name(2-cyclopropylpyrimidin-5-yl)methyl 3-(phenylcarbamoylamino)propanoate
PubChem CID166270131
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name(2-cyclopropylpyrimidin-5-yl)methyl 3-(phenylcarbamoylamino)propanoate
SMILESO=C(NCCC(=O)OCc1cnc(C2CC2)nc1)Nc1ccccc1
InChIInChI=1S/C18H20N4O3/c23-16(8-9-19-18(24)22-15-4-2-1-3-5-15)25-12-13-10-20-17(21-11-13)14-6-7-14/h1-5,10-11,14H,6-9,12H2,(H2,19,22,24)
InChIKeyCIODSOAGPRAUPV-UHFFFAOYSA-N
XLogP2.61
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-chlorophenyl)methyl 3-(phenylcarbamoylamino)propanoate
CID 7805492
2-methoxyethyl 3-(phenylcarbamoylamino)propanoate
CID 42242981
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-(phenylcarbamoylamino)propanoate
CID 7805466
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate
CID 7805429
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate
CID 7805358
(6-chloro-4H-1,3-benzodioxin-8-yl)methyl 3-(phenylcarbamoylamino)propanoate
CID 7805434
3-(phenylcarbamoylamino)-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 24676857
1-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-oxopropyl]-3-phenylurea
CID 17476451
[2-(3-ethylanilino)-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate
CID 7805318
1-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-oxopropyl]-3-phenylurea
CID 66794348
1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-phenylurea
CID 122246350
2-(2,4-dichlorophenoxy)ethyl 3-(phenylcarbamoylamino)propanoate
CID 7805347

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylpyrimidin-5-yl)methyl 3-(phenylcarbamoylamino)propanoate?
The IUPAC name of (2-cyclopropylpyrimidin-5-yl)methyl 3-(phenylcarbamoylamino)propanoate (CID 166270131) is (2-cyclopropylpyrimidin-5-yl)methyl 3-(phenylcarbamoylamino)propanoate.
What is the SMILES notation for (2-cyclopropylpyrimidin-5-yl)methyl 3-(phenylcarbamoylamino)propanoate?
The canonical SMILES for (2-cyclopropylpyrimidin-5-yl)methyl 3-(phenylcarbamoylamino)propanoate is O=C(NCCC(=O)OCc1cnc(C2CC2)nc1)Nc1ccccc1.
What is the InChIKey of (2-cyclopropylpyrimidin-5-yl)methyl 3-(phenylcarbamoylamino)propanoate?
The InChIKey is CIODSOAGPRAUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c23-16(8-9-19-18(24)22-15-4-2-1-3-5-15)25-12-13-10-20-17(21-11-13)14-6-7-14/h1-5,10-11,14H,6-9,12H2,(H2,19,22,24).
What are the key properties of (2-cyclopropylpyrimidin-5-yl)methyl 3-(phenylcarbamoylamino)propanoate?
(2-cyclopropylpyrimidin-5-yl)methyl 3-(phenylcarbamoylamino)propanoate has a molecular weight of 340.38 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylpyrimidin-5-yl)methyl 3-(phenylcarbamoylamino)propanoate is sourced from PubChem (CID 166270131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).