2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-4-carbonitrile

C15H15N5 — CID 107552884

IUPAC2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCc3ccccc3C2CN)n1
InChIInChI=1S/C15H15N5/c16-9-12-5-7-18-15(19-12)20-8-6-11-3-1-2-4-13(11)14(20)10-17/h1-5,7,14H,6,8,10,17H2
InChIKeyMJHHTJGRUWIHBD-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.41
Rot. Bonds2

About 2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-4-carbonitrile

2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-4-carbonitrile (PubChem CID 107552884) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-4-carbonitrile
PubChem CID107552884
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCc3ccccc3C2CN)n1
InChIInChI=1S/C15H15N5/c16-9-12-5-7-18-15(19-12)20-8-6-11-3-1-2-4-13(11)14(20)10-17/h1-5,7,14H,6,8,10,17H2
InChIKeyMJHHTJGRUWIHBD-UHFFFAOYSA-N
XLogP1.41
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-4-carbonitrile (CID 107552884) is 2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-4-carbonitrile is N#Cc1ccnc(N2CCc3ccccc3C2CN)n1.
What is the InChIKey of 2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-4-carbonitrile?
The InChIKey is MJHHTJGRUWIHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c16-9-12-5-7-18-15(19-12)20-8-6-11-3-1-2-4-13(11)14(20)10-17/h1-5,7,14H,6,8,10,17H2.
What are the key properties of 2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-4-carbonitrile?
2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-4-carbonitrile has a molecular weight of 265.32 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107552884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).