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

C20H23N5O — CID 91961238

IUPAC4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine
SMILESCc1cc2c(N3CCc4ccccc4C3)nc(N3CCOCC3)nc2[nH]1
InChIInChI=1S/C20H23N5O/c1-14-12-17-18(21-14)22-20(24-8-10-26-11-9-24)23-19(17)25-7-6-15-4-2-3-5-16(15)13-25/h2-5,12H,6-11,13H2,1H3,(H,21,22,23)
InChIKeyKZTWDAHKTCVCRZ-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.67
Rot. Bonds2

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

4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine (PubChem CID 91961238) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine
PubChem CID91961238
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine
SMILESCc1cc2c(N3CCc4ccccc4C3)nc(N3CCOCC3)nc2[nH]1
InChIInChI=1S/C20H23N5O/c1-14-12-17-18(21-14)22-20(24-8-10-26-11-9-24)23-19(17)25-7-6-15-4-2-3-5-16(15)13-25/h2-5,12H,6-11,13H2,1H3,(H,21,22,23)
InChIKeyKZTWDAHKTCVCRZ-UHFFFAOYSA-N
XLogP2.67
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine
CID 91961239
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 91960739
4-[6-methyl-4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine
CID 91961246
6-methyl-2-morpholin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961256
6-methyl-2-morpholin-4-yl-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961190
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
N-butan-2-yl-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961262
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrrolidin-1-ylquinazoline
CID 68722852
4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]morpholine
CID 112886562
2-[(6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-ylethanone
CID 91961106
N-(furan-2-ylmethyl)-N,6-dimethyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961095

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine (CID 91961238) is 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine is Cc1cc2c(N3CCc4ccccc4C3)nc(N3CCOCC3)nc2[nH]1.
What is the InChIKey of 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
The InChIKey is KZTWDAHKTCVCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14-12-17-18(21-14)22-20(24-8-10-26-11-9-24)23-19(17)25-7-6-15-4-2-3-5-16(15)13-25/h2-5,12H,6-11,13H2,1H3,(H,21,22,23).
What are the key properties of 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine has a molecular weight of 349.44 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 91961238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).