[1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 2-(furan-2-yl)cyclopropane-1-carboxylate

C15H15N3O4 — CID 71883854

IUPAC[1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 2-(furan-2-yl)cyclopropane-1-carboxylate
SMILESCC(OC(=O)C1CC1c1ccco1)C(=O)Nc1ncccn1
InChIInChI=1S/C15H15N3O4/c1-9(13(19)18-15-16-5-3-6-17-15)22-14(20)11-8-10(11)12-4-2-7-21-12/h2-7,9-11H,8H2,1H3,(H,16,17,18,19)
InChIKeyACNGKZDODPTSFF-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.74
Rot. Bonds5

About [1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 2-(furan-2-yl)cyclopropane-1-carboxylate

[1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 2-(furan-2-yl)cyclopropane-1-carboxylate (PubChem CID 71883854) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is [1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 2-(furan-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 2-(furan-2-yl)cyclopropane-1-carboxylate
PubChem CID71883854
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name[1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 2-(furan-2-yl)cyclopropane-1-carboxylate
SMILESCC(OC(=O)C1CC1c1ccco1)C(=O)Nc1ncccn1
InChIInChI=1S/C15H15N3O4/c1-9(13(19)18-15-16-5-3-6-17-15)22-14(20)11-8-10(11)12-4-2-7-21-12/h2-7,9-11H,8H2,1H3,(H,16,17,18,19)
InChIKeyACNGKZDODPTSFF-UHFFFAOYSA-N
XLogP1.74
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 4-[2-oxo-2-(2-pyrimidinylamino)ethoxy]benzoate
CID 3129200
[1-Oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 4-phenoxybenzoate
CID 55475500
[1-Oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 4-oxo-4-(4-propoxyphenyl)butanoate
CID 55487195
[1-Oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 3-(5-phenylfuran-2-yl)propanoate
CID 55492614
[1-Oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetate
CID 55494209
[1-Oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 4-(oxolan-2-ylmethoxy)benzoate
CID 55494492
[1-Oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 55495124
2-(Pyrimidin-2-ylamino)ethyl 5-ethylfuran-2-carboxylate
CID 60266038
2-cyano-3-(5-ethyl-4-methylfuran-2-yl)-3-oxo-N-pyrimidin-2-ylpropanamide
CID 75445771
cis-[(2S)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] (1R,2S)-2-(furan-2-yl)cyclopropane-1-carboxylate
CID 97003877
trans-[(2S)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] (1S,2S)-2-(furan-2-yl)cyclopropane-1-carboxylate
CID 97003878
(2R)-2-cyano-3-(5-ethyl-4-methylfuran-2-yl)-3-oxo-N-pyrimidin-2-ylpropanamide
CID 98271029

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 2-(furan-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of [1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 2-(furan-2-yl)cyclopropane-1-carboxylate (CID 71883854) is [1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 2-(furan-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for [1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 2-(furan-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for [1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 2-(furan-2-yl)cyclopropane-1-carboxylate is CC(OC(=O)C1CC1c1ccco1)C(=O)Nc1ncccn1.
What is the InChIKey of [1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 2-(furan-2-yl)cyclopropane-1-carboxylate?
The InChIKey is ACNGKZDODPTSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-9(13(19)18-15-16-5-3-6-17-15)22-14(20)11-8-10(11)12-4-2-7-21-12/h2-7,9-11H,8H2,1H3,(H,16,17,18,19).
What are the key properties of [1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 2-(furan-2-yl)cyclopropane-1-carboxylate?
[1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 2-(furan-2-yl)cyclopropane-1-carboxylate has a molecular weight of 301.30 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 2-(furan-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 71883854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).