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

C14H16N6O — CID 138008269

IUPAC4-[3-methoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCOC1(c2nccn2C)CN(c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C14H16N6O/c1-19-6-5-16-13(19)14(21-2)7-20(8-14)12-10-3-4-15-11(10)17-9-18-12/h3-6,9H,7-8H2,1-2H3,(H,15,17,18)
InChIKeyLUILNDYDPYPDIP-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.05
Rot. Bonds3

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

4-[3-methoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 138008269) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-[3-methoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[3-methoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID138008269
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name4-[3-methoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCOC1(c2nccn2C)CN(c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C14H16N6O/c1-19-6-5-16-13(19)14(21-2)7-20(8-14)12-10-3-4-15-11(10)17-9-18-12/h3-6,9H,7-8H2,1-2H3,(H,15,17,18)
InChIKeyLUILNDYDPYPDIP-UHFFFAOYSA-N
XLogP1.05
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 154794907
4-[3-ethoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]-6-methylquinazoline
CID 166284186
1-methyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane
CID 90265129
4-(3-ethyl-3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 139004861
tert-butyl 7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate
CID 57477280
2,6-dimethyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine
CID 18008420
4-[4-methyl-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 167866922
1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-one
CID 146089042
N,N-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 138993786
(5S)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,6-diazaspiro[4.5]decane
CID 129267667
4-[4-(2-phenoxyethyl)piperazin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 70772825
4-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 167838700

Frequently Asked Questions

What is the IUPAC name of 4-[3-methoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-[3-methoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine (CID 138008269) is 4-[3-methoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-[3-methoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-[3-methoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine is COC1(c2nccn2C)CN(c2ncnc3[nH]ccc23)C1.
What is the InChIKey of 4-[3-methoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is LUILNDYDPYPDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-19-6-5-16-13(19)14(21-2)7-20(8-14)12-10-3-4-15-11(10)17-9-18-12/h3-6,9H,7-8H2,1-2H3,(H,15,17,18).
What are the key properties of 4-[3-methoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
4-[3-methoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 284.32 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 138008269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).