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

C17H25N5O — CID 91961246

IUPAC4-[6-methyl-4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine
SMILESCc1cc2c(N3CCC(C)CC3)nc(N3CCOCC3)nc2[nH]1
InChIInChI=1S/C17H25N5O/c1-12-3-5-21(6-4-12)16-14-11-13(2)18-15(14)19-17(20-16)22-7-9-23-10-8-22/h11-12H,3-10H2,1-2H3,(H,18,19,20)
InChIKeyIZYZKUDKDXYGFN-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.34
Rot. Bonds2

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

4-[6-methyl-4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine (PubChem CID 91961246) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-[6-methyl-4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[6-methyl-4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine
PubChem CID91961246
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name4-[6-methyl-4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine
SMILESCc1cc2c(N3CCC(C)CC3)nc(N3CCOCC3)nc2[nH]1
InChIInChI=1S/C17H25N5O/c1-12-3-5-21(6-4-12)16-14-11-13(2)18-15(14)19-17(20-16)22-7-9-23-10-8-22/h11-12H,3-10H2,1-2H3,(H,18,19,20)
InChIKeyIZYZKUDKDXYGFN-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

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Related Compounds

4-[6-methyl-4-(3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine
CID 91961244
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
6-methyl-4-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 91960994
4-[4-(4-methylpiperidin-1-yl)quinazolin-2-yl]morpholine;hydrochloride
CID 6459337
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
ethyl 1-(6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 91960999
6-methyl-2-morpholin-4-yl-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961190
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-(2,4-dimethoxyphenyl)-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961212

Frequently Asked Questions

What is the IUPAC name of 4-[6-methyl-4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[6-methyl-4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine (CID 91961246) is 4-[6-methyl-4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[6-methyl-4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[6-methyl-4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine is Cc1cc2c(N3CCC(C)CC3)nc(N3CCOCC3)nc2[nH]1.
What is the InChIKey of 4-[6-methyl-4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
The InChIKey is IZYZKUDKDXYGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-12-3-5-21(6-4-12)16-14-11-13(2)18-15(14)19-17(20-16)22-7-9-23-10-8-22/h11-12H,3-10H2,1-2H3,(H,18,19,20).
What are the key properties of 4-[6-methyl-4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
4-[6-methyl-4-(4-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-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 91961246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).