4-(furan-2-yl)-6-methoxy-2-(pyrrolidin-2-ylmethyl)pyrimidine

C14H17N3O2 — CID 82665682

IUPAC4-(furan-2-yl)-6-methoxy-2-(pyrrolidin-2-ylmethyl)pyrimidine
SMILESCOc1cc(-c2ccco2)nc(CC2CCCN2)n1
InChIInChI=1S/C14H17N3O2/c1-18-14-9-11(12-5-3-7-19-12)16-13(17-14)8-10-4-2-6-15-10/h3,5,7,9-10,15H,2,4,6,8H2,1H3
InChIKeyLRRLCHOLJYJCCP-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.04
Rot. Bonds4

About 4-(furan-2-yl)-6-methoxy-2-(pyrrolidin-2-ylmethyl)pyrimidine

4-(furan-2-yl)-6-methoxy-2-(pyrrolidin-2-ylmethyl)pyrimidine (PubChem CID 82665682) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-(furan-2-yl)-6-methoxy-2-(pyrrolidin-2-ylmethyl)pyrimidine.

Molecular Properties

Compound Name4-(furan-2-yl)-6-methoxy-2-(pyrrolidin-2-ylmethyl)pyrimidine
PubChem CID82665682
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-(furan-2-yl)-6-methoxy-2-(pyrrolidin-2-ylmethyl)pyrimidine
SMILESCOc1cc(-c2ccco2)nc(CC2CCCN2)n1
InChIInChI=1S/C14H17N3O2/c1-18-14-9-11(12-5-3-7-19-12)16-13(17-14)8-10-4-2-6-15-10/h3,5,7,9-10,15H,2,4,6,8H2,1H3
InChIKeyLRRLCHOLJYJCCP-UHFFFAOYSA-N
XLogP2.04
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-6-methoxy-2-(piperidin-2-ylmethyl)pyrimidine
CID 82666688
4-(furan-2-yl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 62632691
7-methoxy-2-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117134373
4-methyl-2-(piperidin-2-ylmethyl)-6-(1H-pyrrol-2-yl)pyrimidine
CID 116893520
3-(6-methoxypyridazin-3-yl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 103372840
7-methoxy-1-(pyrrolidin-2-ylmethyl)isoquinoline
CID 116995296
2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine
CID 82341654
5-methoxy-2-(piperidin-2-ylmethyl)pyrimidine
CID 117231656
4,6-dimethoxy-2-(2-piperidin-2-ylethoxy)pyrimidine
CID 115355534
2-(pyrrolidin-2-ylmethyl)-4-(1H-pyrrol-2-yl)pyrimidine
CID 116898922
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106615340
2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 61372127

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-6-methoxy-2-(pyrrolidin-2-ylmethyl)pyrimidine?
The IUPAC name of 4-(furan-2-yl)-6-methoxy-2-(pyrrolidin-2-ylmethyl)pyrimidine (CID 82665682) is 4-(furan-2-yl)-6-methoxy-2-(pyrrolidin-2-ylmethyl)pyrimidine.
What is the SMILES notation for 4-(furan-2-yl)-6-methoxy-2-(pyrrolidin-2-ylmethyl)pyrimidine?
The canonical SMILES for 4-(furan-2-yl)-6-methoxy-2-(pyrrolidin-2-ylmethyl)pyrimidine is COc1cc(-c2ccco2)nc(CC2CCCN2)n1.
What is the InChIKey of 4-(furan-2-yl)-6-methoxy-2-(pyrrolidin-2-ylmethyl)pyrimidine?
The InChIKey is LRRLCHOLJYJCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-18-14-9-11(12-5-3-7-19-12)16-13(17-14)8-10-4-2-6-15-10/h3,5,7,9-10,15H,2,4,6,8H2,1H3.
What are the key properties of 4-(furan-2-yl)-6-methoxy-2-(pyrrolidin-2-ylmethyl)pyrimidine?
4-(furan-2-yl)-6-methoxy-2-(pyrrolidin-2-ylmethyl)pyrimidine has a molecular weight of 259.31 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-6-methoxy-2-(pyrrolidin-2-ylmethyl)pyrimidine is sourced from PubChem (CID 82665682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).