N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-2-amine

C19H19N5 — CID 56745376

IUPACN-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-2-amine
SMILESc1cnc(NCc2cccnc2N2CCc3ccccc3C2)nc1
InChIInChI=1S/C19H19N5/c1-2-6-17-14-24(12-8-15(17)5-1)18-16(7-3-9-20-18)13-23-19-21-10-4-11-22-19/h1-7,9-11H,8,12-14H2,(H,21,22,23)
InChIKeyIYIBLAPKYQVVQS-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.05
Rot. Bonds4

About N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-2-amine

N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-2-amine (PubChem CID 56745376) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-2-amine
PubChem CID56745376
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC NameN-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-2-amine
SMILESc1cnc(NCc2cccnc2N2CCc3ccccc3C2)nc1
InChIInChI=1S/C19H19N5/c1-2-6-17-14-24(12-8-15(17)5-1)18-16(7-3-9-20-18)13-23-19-21-10-4-11-22-19/h1-7,9-11H,8,12-14H2,(H,21,22,23)
InChIKeyIYIBLAPKYQVVQS-UHFFFAOYSA-N
XLogP3.05
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-2-amine with MolForge

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Related Compounds

2-[3-(bromomethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline
CID 114056909
6-cyclopropyl-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-4-amine
CID 56749686
N-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methyl]ethanamine
CID 63152821
3-[3-(bromomethyl)-2-pyridinyl]-1,2,4,5-tetrahydro-3-benzazepine
CID 114056963
2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-3-amine
CID 16783390
(1R)-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-2,2-diethylcyclopropane-1-carboxamide
CID 95219729
2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carbonitrile
CID 17221175
5-chloro-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56741346
2-[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline
CID 82248781
N-[[2-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62280665
N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 84574711
1-[3-fluoro-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyridinyl]-N-methylmethanamine
CID 105390008

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-2-amine?
The IUPAC name of N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-2-amine (CID 56745376) is N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-2-amine is c1cnc(NCc2cccnc2N2CCc3ccccc3C2)nc1.
What is the InChIKey of N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-2-amine?
The InChIKey is IYIBLAPKYQVVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-2-6-17-14-24(12-8-15(17)5-1)18-16(7-3-9-20-18)13-23-19-21-10-4-11-22-19/h1-7,9-11H,8,12-14H2,(H,21,22,23).
What are the key properties of N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-2-amine?
N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-2-amine has a molecular weight of 317.40 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 56745376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).