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

C22H23N5 — CID 56749686

IUPAC6-cyclopropyl-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-4-amine
SMILESc1ccc2c(c1)CCN(c1ncccc1CNc1cc(C3CC3)ncn1)C2
InChIInChI=1S/C22H23N5/c1-2-5-19-14-27(11-9-16(19)4-1)22-18(6-3-10-23-22)13-24-21-12-20(17-7-8-17)25-15-26-21/h1-6,10,12,15,17H,7-9,11,13-14H2,(H,24,25,26)
InChIKeyAPIMHGAJKINBTC-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.92
Rot. Bonds5

About 6-cyclopropyl-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-4-amine

6-cyclopropyl-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-4-amine (PubChem CID 56749686) has the molecular formula C22H23N5 and a molecular weight of 357.46 g/mol. Its IUPAC name is 6-cyclopropyl-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-4-amine
PubChem CID56749686
Molecular FormulaC22H23N5
Molecular Weight357.46 g/mol
Exact Mass357.20
IUPAC Name6-cyclopropyl-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-4-amine
SMILESc1ccc2c(c1)CCN(c1ncccc1CNc1cc(C3CC3)ncn1)C2
InChIInChI=1S/C22H23N5/c1-2-5-19-14-27(11-9-16(19)4-1)22-18(6-3-10-23-22)13-24-21-12-20(17-7-8-17)25-15-26-21/h1-6,10,12,15,17H,7-9,11,13-14H2,(H,24,25,26)
InChIKeyAPIMHGAJKINBTC-UHFFFAOYSA-N
XLogP3.92
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-cyclopropyl-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-4-amine with MolForge

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Related Compounds

N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-2-amine
CID 56745376
2-[3-(bromomethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline
CID 114056909
N-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methyl]ethanamine
CID 63152821
N-(1,3-benzodioxol-5-ylmethyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-amine
CID 112860338
(1R)-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-2,2-diethylcyclopropane-1-carboxamide
CID 95219729
3-[3-(bromomethyl)-2-pyridinyl]-1,2,4,5-tetrahydro-3-benzazepine
CID 114056963
6-cyclobutyl-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 171997091
2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-3-amine
CID 16783390
1-[6-(benzylamino)pyrimidin-4-yl]-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol
CID 175413486
N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-amine
CID 112892651
N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 84574711
5-chloro-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56741346

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-4-amine (CID 56749686) is 6-cyclopropyl-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-4-amine is c1ccc2c(c1)CCN(c1ncccc1CNc1cc(C3CC3)ncn1)C2.
What is the InChIKey of 6-cyclopropyl-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-4-amine?
The InChIKey is APIMHGAJKINBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5/c1-2-5-19-14-27(11-9-16(19)4-1)22-18(6-3-10-23-22)13-24-21-12-20(17-7-8-17)25-15-26-21/h1-6,10,12,15,17H,7-9,11,13-14H2,(H,24,25,26).
What are the key properties of 6-cyclopropyl-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-4-amine?
6-cyclopropyl-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-4-amine has a molecular weight of 357.46 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 56749686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).