5-[(2-ethyl-2,5-dihydropyrrol-1-yl)methyl]-2-(furan-2-yl)pyrimidine

C15H17N3O — CID 131925309

IUPAC5-[(2-ethyl-2,5-dihydropyrrol-1-yl)methyl]-2-(furan-2-yl)pyrimidine
SMILESCCC1C=CCN1Cc1cnc(-c2ccco2)nc1
InChIInChI=1S/C15H17N3O/c1-2-13-5-3-7-18(13)11-12-9-16-15(17-10-12)14-6-4-8-19-14/h3-6,8-10,13H,2,7,11H2,1H3
InChIKeyKHVNYWDKSNHWNH-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.89
Rot. Bonds4

About 5-[(2-ethyl-2,5-dihydropyrrol-1-yl)methyl]-2-(furan-2-yl)pyrimidine

5-[(2-ethyl-2,5-dihydropyrrol-1-yl)methyl]-2-(furan-2-yl)pyrimidine (PubChem CID 131925309) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-[(2-ethyl-2,5-dihydropyrrol-1-yl)methyl]-2-(furan-2-yl)pyrimidine.

Molecular Properties

Compound Name5-[(2-ethyl-2,5-dihydropyrrol-1-yl)methyl]-2-(furan-2-yl)pyrimidine
PubChem CID131925309
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name5-[(2-ethyl-2,5-dihydropyrrol-1-yl)methyl]-2-(furan-2-yl)pyrimidine
SMILESCCC1C=CCN1Cc1cnc(-c2ccco2)nc1
InChIInChI=1S/C15H17N3O/c1-2-13-5-3-7-18(13)11-12-9-16-15(17-10-12)14-6-4-8-19-14/h3-6,8-10,13H,2,7,11H2,1H3
InChIKeyKHVNYWDKSNHWNH-UHFFFAOYSA-N
XLogP2.89
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4aR,7aS)-4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70728629
(3aR,6S,7aS)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-3a-methoxy-3,4,5,6,7,7a-hexahydro-2H-indol-6-ol
CID 118770593
2-(furan-2-yl)-5-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]pyrimidine
CID 95869290
1-(2,3-dihydro-1H-inden-2-yl)-4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-1,4-diazepane
CID 70752557
2-(furan-2-yl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]pyrimidine
CID 56915979
5-[(2S)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 95712932
(3S,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(4-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine
CID 70706284
(4R)-4-[(dimethylamino)methyl]-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]azepan-4-ol
CID 95712097
[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]-phenylmethanone
CID 56917412
(3R,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(pyrimidin-2-ylamino)piperidin-3-ol
CID 118766424
1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-N-methylmethanamine
CID 99929648
4-[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 135882171

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethyl-2,5-dihydropyrrol-1-yl)methyl]-2-(furan-2-yl)pyrimidine?
The IUPAC name of 5-[(2-ethyl-2,5-dihydropyrrol-1-yl)methyl]-2-(furan-2-yl)pyrimidine (CID 131925309) is 5-[(2-ethyl-2,5-dihydropyrrol-1-yl)methyl]-2-(furan-2-yl)pyrimidine.
What is the SMILES notation for 5-[(2-ethyl-2,5-dihydropyrrol-1-yl)methyl]-2-(furan-2-yl)pyrimidine?
The canonical SMILES for 5-[(2-ethyl-2,5-dihydropyrrol-1-yl)methyl]-2-(furan-2-yl)pyrimidine is CCC1C=CCN1Cc1cnc(-c2ccco2)nc1.
What is the InChIKey of 5-[(2-ethyl-2,5-dihydropyrrol-1-yl)methyl]-2-(furan-2-yl)pyrimidine?
The InChIKey is KHVNYWDKSNHWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-13-5-3-7-18(13)11-12-9-16-15(17-10-12)14-6-4-8-19-14/h3-6,8-10,13H,2,7,11H2,1H3.
What are the key properties of 5-[(2-ethyl-2,5-dihydropyrrol-1-yl)methyl]-2-(furan-2-yl)pyrimidine?
5-[(2-ethyl-2,5-dihydropyrrol-1-yl)methyl]-2-(furan-2-yl)pyrimidine has a molecular weight of 255.32 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethyl-2,5-dihydropyrrol-1-yl)methyl]-2-(furan-2-yl)pyrimidine is sourced from PubChem (CID 131925309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).