4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine

C16H20N6 — CID 154794907

IUPAC4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCn1ccnc1CC1CCCN(c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C16H20N6/c1-21-8-6-17-14(21)9-12-3-2-7-22(10-12)16-13-4-5-18-15(13)19-11-20-16/h4-6,8,11-12H,2-3,7,9-10H2,1H3,(H,18,19,20)
InChIKeyJJGDWOXZKCVKDS-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.15
Rot. Bonds3

About 4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine

4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 154794907) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is 4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID154794907
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC Name4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCn1ccnc1CC1CCCN(c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C16H20N6/c1-21-8-6-17-14(21)9-12-3-2-7-22(10-12)16-13-4-5-18-15(13)19-11-20-16/h4-6,8,11-12H,2-3,7,9-10H2,1H3,(H,18,19,20)
InChIKeyJJGDWOXZKCVKDS-UHFFFAOYSA-N
XLogP2.15
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 71968536
4-[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 95345040
6-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 90016593
4-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 167838700
1-(cyclobutylmethyl)-3-[(1-methylimidazol-2-yl)methyl]piperidine
CID 86771066
4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 131901668
1-[(2-tert-butyl-5-methylpyrazol-3-yl)amino]-3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propan-2-one
CID 160507503
4-[3-(2,2-difluoroethyl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 138000891
N-methyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]cyclopropanesulfonamide
CID 154582611
N,4-dimethyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine
CID 171995868
4-ethyl-2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3-thiazole
CID 146084213
1-(4-chloroanilino)-3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propan-2-one
CID 158841038

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine (CID 154794907) is 4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine is Cn1ccnc1CC1CCCN(c2ncnc3[nH]ccc23)C1.
What is the InChIKey of 4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is JJGDWOXZKCVKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6/c1-21-8-6-17-14(21)9-12-3-2-7-22(10-12)16-13-4-5-18-15(13)19-11-20-16/h4-6,8,11-12H,2-3,7,9-10H2,1H3,(H,18,19,20).
What are the key properties of 4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 296.38 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 154794907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).