4-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-6-pyrrolidin-1-ylpyrimidine

C18H26N6 — CID 124883297

IUPAC4-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-6-pyrrolidin-1-ylpyrimidine
SMILESCCc1nccn1[C@@H]1CCCN(c2cc(N3CCCC3)ncn2)C1
InChIInChI=1S/C18H26N6/c1-2-16-19-7-11-24(16)15-6-5-10-23(13-15)18-12-17(20-14-21-18)22-8-3-4-9-22/h7,11-12,14-15H,2-6,8-10,13H2,1H3/t15-/m1/s1
InChIKeySZPMZKSVTCOUDS-OAHLLOKOSA-N
MW326.45 g/mol
LogP2.68
Rot. Bonds4

About 4-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-6-pyrrolidin-1-ylpyrimidine

4-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-6-pyrrolidin-1-ylpyrimidine (PubChem CID 124883297) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is 4-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-6-pyrrolidin-1-ylpyrimidine
PubChem CID124883297
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name4-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-6-pyrrolidin-1-ylpyrimidine
SMILESCCc1nccn1[C@@H]1CCCN(c2cc(N3CCCC3)ncn2)C1
InChIInChI=1S/C18H26N6/c1-2-16-19-7-11-24(16)15-6-5-10-23(13-15)18-12-17(20-14-21-18)22-8-3-4-9-22/h7,11-12,14-15H,2-6,8-10,13H2,1H3/t15-/m1/s1
InChIKeySZPMZKSVTCOUDS-OAHLLOKOSA-N
XLogP2.68
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine
CID 133295037
[4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-pyridinyl]methanol
CID 136568930
4-(2-ethylimidazol-1-yl)-1-methylazepane
CID 84734196
4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 167865024
(8aR)-2-[6-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrimidin-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 129429947
4-acetyl-3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]benzonitrile
CID 133457766
4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 133470476
3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole
CID 133482995
2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119881391
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704387
[1-[6-[3-(azepan-1-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133454449
(2S)-2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119881387

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-6-pyrrolidin-1-ylpyrimidine (CID 124883297) is 4-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-6-pyrrolidin-1-ylpyrimidine is CCc1nccn1[C@@H]1CCCN(c2cc(N3CCCC3)ncn2)C1.
What is the InChIKey of 4-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is SZPMZKSVTCOUDS-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N6/c1-2-16-19-7-11-24(16)15-6-5-10-23(13-15)18-12-17(20-14-21-18)22-8-3-4-9-22/h7,11-12,14-15H,2-6,8-10,13H2,1H3/t15-/m1/s1.
What are the key properties of 4-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-6-pyrrolidin-1-ylpyrimidine?
4-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 326.45 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 124883297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).