[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone

C20H27N5O2 — CID 74241802

IUPAC[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
SMILESCc1cc(C)nc(N2CCN(C(=O)c3ccc(CN4CCCC4)o3)CC2)n1
InChIInChI=1S/C20H27N5O2/c1-15-13-16(2)22-20(21-15)25-11-9-24(10-12-25)19(26)18-6-5-17(27-18)14-23-7-3-4-8-23/h5-6,13H,3-4,7-12,14H2,1-2H3
InChIKeyOKMKYWLTMIRVJO-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.24
Rot. Bonds4

About [4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone

[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone (PubChem CID 74241802) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is [4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
PubChem CID74241802
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
SMILESCc1cc(C)nc(N2CCN(C(=O)c3ccc(CN4CCCC4)o3)CC2)n1
InChIInChI=1S/C20H27N5O2/c1-15-13-16(2)22-20(21-15)25-11-9-24(10-12-25)19(26)18-6-5-17(27-18)14-23-7-3-4-8-23/h5-6,13H,3-4,7-12,14H2,1-2H3
InChIKeyOKMKYWLTMIRVJO-UHFFFAOYSA-N
XLogP2.24
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone with MolForge

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Related Compounds

[4-(4-methoxyphenyl)piperazin-1-yl]-[5-(piperidin-1-ylmethyl)furan-2-yl]methanone
CID 35333195
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 131918948
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3433092
[5-(pyrrolidin-1-ylmethyl)furan-2-yl]-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone
CID 131904436
[4-(dimethylamino)azepan-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 56897720
1-[4-[5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]furan-2-carbonyl]piperazin-1-yl]ethanone
CID 46043392
[5-[(4-hydroxypiperidin-1-yl)methyl]furan-2-yl]-piperidin-1-ylmethanone
CID 15675405
bis[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 150598584
[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 56759492
[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 72850046
(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 118791862
1-(4,6-dimethylpyrimidin-2-yl)-4-[(4-fluorophenyl)methyl]-1,4-diazepane
CID 78845397

Frequently Asked Questions

What is the IUPAC name of [4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone?
The IUPAC name of [4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone (CID 74241802) is [4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone.
What is the SMILES notation for [4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone?
The canonical SMILES for [4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone is Cc1cc(C)nc(N2CCN(C(=O)c3ccc(CN4CCCC4)o3)CC2)n1.
What is the InChIKey of [4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone?
The InChIKey is OKMKYWLTMIRVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-15-13-16(2)22-20(21-15)25-11-9-24(10-12-25)19(26)18-6-5-17(27-18)14-23-7-3-4-8-23/h5-6,13H,3-4,7-12,14H2,1-2H3.
What are the key properties of [4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone?
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone has a molecular weight of 369.47 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone is sourced from PubChem (CID 74241802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).