methyl 4-(furan-3-yl)-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine-2-carboxylate

C16H19N3O4 — CID 168910640

IUPACmethyl 4-(furan-3-yl)-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(OC[C@@H]2CCCN2C)cc(-c2ccoc2)n1
InChIInChI=1S/C16H19N3O4/c1-19-6-3-4-12(19)10-23-14-8-13(11-5-7-22-9-11)17-15(18-14)16(20)21-2/h5,7-9,12H,3-4,6,10H2,1-2H3/t12-/m0/s1
InChIKeySWGGEFCJWPBRSA-LBPRGKRZSA-N
MW317.34 g/mol
LogP2.00
Rot. Bonds5

About methyl 4-(furan-3-yl)-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine-2-carboxylate

methyl 4-(furan-3-yl)-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine-2-carboxylate (PubChem CID 168910640) has the molecular formula C16H19N3O4 and a molecular weight of 317.34 g/mol. Its IUPAC name is methyl 4-(furan-3-yl)-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(furan-3-yl)-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine-2-carboxylate
PubChem CID168910640
Molecular FormulaC16H19N3O4
Molecular Weight317.34 g/mol
Exact Mass317.14
IUPAC Namemethyl 4-(furan-3-yl)-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(OC[C@@H]2CCCN2C)cc(-c2ccoc2)n1
InChIInChI=1S/C16H19N3O4/c1-19-6-3-4-12(19)10-23-14-8-13(11-5-7-22-9-11)17-15(18-14)16(20)21-2/h5,7-9,12H,3-4,6,10H2,1-2H3/t12-/m0/s1
InChIKeySWGGEFCJWPBRSA-LBPRGKRZSA-N
XLogP2.00
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-chloro-6-[(1-methylpyrrolidin-2-yl)methoxy]pyrimidine-2-carboxylate
CID 178104654
4-chloro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine-2-carboxylic acid
CID 168910704
methyl 4-[(1-methylpyrrolidin-2-yl)methylamino]pyrimidine-2-carboxylate
CID 114138490
methyl 4-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]benzoate
CID 58575050
acetic acid;2-[(4-ethylphenoxy)methyl]-1-methylpyrrolidine
CID 91515724
2-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboxylic acid
CID 65472831
methyl 5-amino-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-2-carboxylate
CID 114409060
[2-methyl-6-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-4-yl]hydrazine
CID 80921266
3-[6-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]benzaldehyde
CID 121284214
[2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-pyridinyl]methanamine
CID 124673126
3-methoxy-6-[(1-methylpiperidin-2-yl)methoxy]pyridazine
CID 117063213
2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 141201313

Frequently Asked Questions

What is the IUPAC name of methyl 4-(furan-3-yl)-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-(furan-3-yl)-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine-2-carboxylate (CID 168910640) is methyl 4-(furan-3-yl)-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-(furan-3-yl)-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-(furan-3-yl)-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine-2-carboxylate is COC(=O)c1nc(OC[C@@H]2CCCN2C)cc(-c2ccoc2)n1.
What is the InChIKey of methyl 4-(furan-3-yl)-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine-2-carboxylate?
The InChIKey is SWGGEFCJWPBRSA-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-19-6-3-4-12(19)10-23-14-8-13(11-5-7-22-9-11)17-15(18-14)16(20)21-2/h5,7-9,12H,3-4,6,10H2,1-2H3/t12-/m0/s1.
What are the key properties of methyl 4-(furan-3-yl)-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine-2-carboxylate?
methyl 4-(furan-3-yl)-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine-2-carboxylate has a molecular weight of 317.34 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(furan-3-yl)-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine-2-carboxylate is sourced from PubChem (CID 168910640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).