4-[6-methyl-4-(3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine

C17H25N5O — CID 91961244

IUPAC4-[6-methyl-4-(3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine
SMILESCc1cc2c(N3CCCC(C)C3)nc(N3CCOCC3)nc2[nH]1
InChIInChI=1S/C17H25N5O/c1-12-4-3-5-22(11-12)16-14-10-13(2)18-15(14)19-17(20-16)21-6-8-23-9-7-21/h10,12H,3-9,11H2,1-2H3,(H,18,19,20)
InChIKeyWJBKHOOBGNXMTD-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.34
Rot. Bonds2

About 4-[6-methyl-4-(3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine

4-[6-methyl-4-(3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine (PubChem CID 91961244) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-[6-methyl-4-(3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[6-methyl-4-(3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine
PubChem CID91961244
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name4-[6-methyl-4-(3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine
SMILESCc1cc2c(N3CCCC(C)C3)nc(N3CCOCC3)nc2[nH]1
InChIInChI=1S/C17H25N5O/c1-12-4-3-5-22(11-12)16-14-10-13(2)18-15(14)19-17(20-16)21-6-8-23-9-7-21/h10,12H,3-9,11H2,1-2H3,(H,18,19,20)
InChIKeyWJBKHOOBGNXMTD-UHFFFAOYSA-N
XLogP2.34
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[6-methyl-4-(3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine with MolForge

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Related Compounds

6-methyl-4-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 91960994
4-[6-methyl-4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine
CID 91961246
4-(azepan-1-yl)-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 91961000
4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine
CID 91961238
4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine
CID 91961239
N-butan-2-yl-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961262
[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109324420
ethyl 1-(6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 91960999
2-[(6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-ylethanone
CID 91961106
6-methyl-2-morpholin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961256
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961196
[4-[(6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-morpholin-4-ylmethanone
CID 91960840

Frequently Asked Questions

What is the IUPAC name of 4-[6-methyl-4-(3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[6-methyl-4-(3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine (CID 91961244) is 4-[6-methyl-4-(3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[6-methyl-4-(3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[6-methyl-4-(3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine is Cc1cc2c(N3CCCC(C)C3)nc(N3CCOCC3)nc2[nH]1.
What is the InChIKey of 4-[6-methyl-4-(3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
The InChIKey is WJBKHOOBGNXMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-12-4-3-5-22(11-12)16-14-10-13(2)18-15(14)19-17(20-16)21-6-8-23-9-7-21/h10,12H,3-9,11H2,1-2H3,(H,18,19,20).
What are the key properties of 4-[6-methyl-4-(3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
4-[6-methyl-4-(3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine has a molecular weight of 315.42 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methyl-4-(3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 91961244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).