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

C18H21N5 — CID 91960739

IUPAC4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1cc2c(N3CCc4ccccc4C3)nc(N(C)C)nc2[nH]1
InChIInChI=1S/C18H21N5/c1-12-10-15-16(19-12)20-18(22(2)3)21-17(15)23-9-8-13-6-4-5-7-14(13)11-23/h4-7,10H,8-9,11H2,1-3H3,(H,19,20,21)
InChIKeyUJHJWSTYERYSNH-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.90
Rot. Bonds2

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

4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 91960739) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID91960739
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1cc2c(N3CCc4ccccc4C3)nc(N(C)C)nc2[nH]1
InChIInChI=1S/C18H21N5/c1-12-10-15-16(19-12)20-18(22(2)3)21-17(15)23-9-8-13-6-4-5-7-14(13)11-23/h4-7,10H,8-9,11H2,1-3H3,(H,19,20,21)
InChIKeyUJHJWSTYERYSNH-UHFFFAOYSA-N
XLogP2.90
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine
CID 91961238
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80751354
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,5,6-trimethyl-N-phenylpyrimidin-2-amine
CID 54089583
2-(5-chloro-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline
CID 86615261
7-(3,4-dihydro-1H-isoquinolin-2-yl)-N,2,3-trimethyl-1H-pyrrolo[2,3-c]pyridin-5-amine;hydrochloride
CID 67141624
7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine-5-carbonitrile
CID 67141782
2-(5-chloro-1,2,3-trimethylpyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline
CID 87285407
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,5-dimethylpyrimidin-4-amine
CID 80767214
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine
CID 133407195
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethyl-3-pyridinyl]methanol
CID 61252617
N-tert-butyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine
CID 112873827
ethyl 1-[2-(dimethylamino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate
CID 91960758

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 91960739) is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine is Cc1cc2c(N3CCc4ccccc4C3)nc(N(C)C)nc2[nH]1.
What is the InChIKey of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is UJHJWSTYERYSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-12-10-15-16(19-12)20-18(22(2)3)21-17(15)23-9-8-13-6-4-5-7-14(13)11-23/h4-7,10H,8-9,11H2,1-3H3,(H,19,20,21).
What are the key properties of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 307.40 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 91960739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).