N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C19H21N5O3 — CID 91961196

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(Nc3ccc4c(c3)OCCO4)nc(N3CCOCC3)nc2[nH]1
InChIInChI=1S/C19H21N5O3/c1-12-10-14-17(20-12)22-19(24-4-6-25-7-5-24)23-18(14)21-13-2-3-15-16(11-13)27-9-8-26-15/h2-3,10-11H,4-9H2,1H3,(H2,20,21,22,23)
InChIKeyDWZHLBUXASVKKY-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.62
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 91961196) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID91961196
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(Nc3ccc4c(c3)OCCO4)nc(N3CCOCC3)nc2[nH]1
InChIInChI=1S/C19H21N5O3/c1-12-10-14-17(20-12)22-19(24-4-6-25-7-5-24)23-18(14)21-13-2-3-15-16(11-13)27-9-8-26-15/h2-3,10-11H,4-9H2,1H3,(H2,20,21,22,23)
InChIKeyDWZHLBUXASVKKY-UHFFFAOYSA-N
XLogP2.62
TPSA84.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

[4-[(6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-morpholin-4-ylmethanone
CID 91960840
N-(2,4-dimethoxyphenyl)-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961212
N-(3,4-difluorophenyl)-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91960952
N-butan-2-yl-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961262
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-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961190
N-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961094
N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91960829
N',N'-diethyl-N-(6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
CID 91961243
6-methyl-N-(4-phenoxyphenyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961019
4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine
CID 91961238
4-[6-methyl-4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine
CID 91961246

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 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) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1cc2c(Nc3ccc4c(c3)OCCO4)nc(N3CCOCC3)nc2[nH]1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is DWZHLBUXASVKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-12-10-14-17(20-12)22-19(24-4-6-25-7-5-24)23-18(14)21-13-2-3-15-16(11-13)27-9-8-26-15/h2-3,10-11H,4-9H2,1H3,(H2,20,21,22,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 367.41 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 91961196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).