N-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C20H23N5O3 — CID 91961094

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(N(C)Cc3ccc4c(c3)OCO4)nc(N3CCOCC3)nc2[nH]1
InChIInChI=1S/C20H23N5O3/c1-13-9-15-18(21-13)22-20(25-5-7-26-8-6-25)23-19(15)24(2)11-14-3-4-16-17(10-14)28-12-27-16/h3-4,9-10H,5-8,11-12H2,1-2H3,(H,21,22,23)
InChIKeyDTZUCSMKIVEXGX-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.47
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 91961094) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID91961094
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(N(C)Cc3ccc4c(c3)OCO4)nc(N3CCOCC3)nc2[nH]1
InChIInChI=1S/C20H23N5O3/c1-13-9-15-18(21-13)22-20(25-5-7-26-8-6-25)23-19(15)24(2)11-14-3-4-16-17(10-14)28-12-27-16/h3-4,9-10H,5-8,11-12H2,1-2H3,(H,21,22,23)
InChIKeyDTZUCSMKIVEXGX-UHFFFAOYSA-N
XLogP2.47
TPSA75.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(furan-2-ylmethyl)-N,6-dimethyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961095
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
N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912254
N-butan-2-yl-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961262
4-N-(1,3-benzodioxol-5-ylmethyl)-2-N,2-N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 91960750
6-methyl-2-morpholin-4-yl-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961190
N-benzyl-N-ethyl-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961046
4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine
CID 91961238
N',N'-diethyl-N-(6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
CID 91961243
4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine
CID 91961239
4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 112886405
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 N-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 91961094) is N-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1cc2c(N(C)Cc3ccc4c(c3)OCO4)nc(N3CCOCC3)nc2[nH]1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is DTZUCSMKIVEXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-13-9-15-18(21-13)22-20(25-5-7-26-8-6-25)23-19(15)24(2)11-14-3-4-16-17(10-14)28-12-27-16/h3-4,9-10H,5-8,11-12H2,1-2H3,(H,21,22,23).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 381.44 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 91961094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).