5-[1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]imidazol-2-yl]-2-pyrrolidin-1-ylpyrimidine

C21H30N6O — CID 70714785

IUPAC5-[1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]imidazol-2-yl]-2-pyrrolidin-1-ylpyrimidine
SMILESc1cn(C2CCN(CC3CCCO3)CC2)c(-c2cnc(N3CCCC3)nc2)n1
InChIInChI=1S/C21H30N6O/c1-2-9-26(8-1)21-23-14-17(15-24-21)20-22-7-12-27(20)18-5-10-25(11-6-18)16-19-4-3-13-28-19/h7,12,14-15,18-19H,1-6,8-11,13,16H2
InChIKeySFNFQIMWXMDKRH-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.76
Rot. Bonds5

About 5-[1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]imidazol-2-yl]-2-pyrrolidin-1-ylpyrimidine

5-[1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]imidazol-2-yl]-2-pyrrolidin-1-ylpyrimidine (PubChem CID 70714785) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is 5-[1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]imidazol-2-yl]-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name5-[1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]imidazol-2-yl]-2-pyrrolidin-1-ylpyrimidine
PubChem CID70714785
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC Name5-[1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]imidazol-2-yl]-2-pyrrolidin-1-ylpyrimidine
SMILESc1cn(C2CCN(CC3CCCO3)CC2)c(-c2cnc(N3CCCC3)nc2)n1
InChIInChI=1S/C21H30N6O/c1-2-9-26(8-1)21-23-14-17(15-24-21)20-22-7-12-27(20)18-5-10-25(11-6-18)16-19-4-3-13-28-19/h7,12,14-15,18-19H,1-6,8-11,13,16H2
InChIKeySFNFQIMWXMDKRH-UHFFFAOYSA-N
XLogP2.76
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4aR,7aS)-6-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97409918
4-[(4aR,7aS)-6-[(1-methylimidazol-2-yl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N,N-dimethylpyrimidin-2-amine
CID 97510746
3-(Methoxymethyl)-8-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118743452
N-methyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-pyrimidin-5-ylmethanamine
CID 118746362
5-[[ethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99946648
4-(imidazol-1-ylmethyl)-1-[[2-[[(2R)-oxolan-2-yl]methylamino]pyrimidin-5-yl]methyl]piperidin-4-ol
CID 99946688
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-fluoropyrimidin-2-amine
CID 128967819
2-(2-{2-[(tetrahydrofuran-2-ylmethyl)amino]pyrimidin-5-yl}-1H-imidazol-1-yl)ethanol
CID 56755962
5-(2-Methylpyrimidin-5-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 166126288
5-(2-Tert-butylpyrimidin-5-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 172173908
N,N,2,2-tetramethyl-3-[2-(2-morpholin-4-ylpyrimidin-5-yl)-1H-imidazol-1-yl]propan-1-amine
CID 56743039
2-cyclohexyl-5-[1-(2-isopropoxyethyl)-1H-imidazol-2-yl]pyrimidine
CID 56862482

Frequently Asked Questions

What is the IUPAC name of 5-[1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]imidazol-2-yl]-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 5-[1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]imidazol-2-yl]-2-pyrrolidin-1-ylpyrimidine (CID 70714785) is 5-[1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]imidazol-2-yl]-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 5-[1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]imidazol-2-yl]-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 5-[1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]imidazol-2-yl]-2-pyrrolidin-1-ylpyrimidine is c1cn(C2CCN(CC3CCCO3)CC2)c(-c2cnc(N3CCCC3)nc2)n1.
What is the InChIKey of 5-[1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]imidazol-2-yl]-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is SFNFQIMWXMDKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-2-9-26(8-1)21-23-14-17(15-24-21)20-22-7-12-27(20)18-5-10-25(11-6-18)16-19-4-3-13-28-19/h7,12,14-15,18-19H,1-6,8-11,13,16H2.
What are the key properties of 5-[1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]imidazol-2-yl]-2-pyrrolidin-1-ylpyrimidine?
5-[1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]imidazol-2-yl]-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 382.51 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]imidazol-2-yl]-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 70714785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).