2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(methoxymethyl)-N-(piperidin-3-ylmethyl)pyrimidin-4-amine

C21H29N5O — CID 71564248

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(methoxymethyl)-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
SMILESCOCc1cc(NCC2CCCNC2)nc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C21H29N5O/c1-27-15-19-11-20(23-13-16-5-4-9-22-12-16)25-21(24-19)26-10-8-17-6-2-3-7-18(17)14-26/h2-3,6-7,11,16,22H,4-5,8-10,12-15H2,1H3,(H,23,24,25)
InChIKeyYFJCNNZIZULICY-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.60
Rot. Bonds6

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(methoxymethyl)-N-(piperidin-3-ylmethyl)pyrimidin-4-amine

2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(methoxymethyl)-N-(piperidin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 71564248) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(methoxymethyl)-N-(piperidin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(methoxymethyl)-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
PubChem CID71564248
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(methoxymethyl)-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
SMILESCOCc1cc(NCC2CCCNC2)nc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C21H29N5O/c1-27-15-19-11-20(23-13-16-5-4-9-22-12-16)25-21(24-19)26-10-8-17-6-2-3-7-18(17)14-26/h2-3,6-7,11,16,22H,4-5,8-10,12-15H2,1H3,(H,23,24,25)
InChIKeyYFJCNNZIZULICY-UHFFFAOYSA-N
XLogP2.60
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(methoxymethyl)-N-(piperidin-3-ylmethyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine
CID 71564225
2-(4-fluorophenyl)-6-(methoxymethyl)-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 56768398
6-(methoxymethyl)-2-methyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine
CID 94076559
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)-6-phenylpyrimidin-4-amine
CID 112934865
6-(methoxymethyl)-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine
CID 71564571
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 24703662
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 53408753
methyl 4-methyl-6-(piperidin-3-ylmethylamino)pyrimidine-2-carboxylate
CID 66285498
2-[2-[(3R)-piperidin-3-yl]ethyl]-3,4-dihydro-1H-isoquinoline
CID 86323482
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine
CID 112918175
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methyl-6-piperidin-3-ylpyrimidin-4-amine
CID 56719274
2-methyl-N-(piperidin-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 110277770

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(methoxymethyl)-N-(piperidin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(methoxymethyl)-N-(piperidin-3-ylmethyl)pyrimidin-4-amine (CID 71564248) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(methoxymethyl)-N-(piperidin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(methoxymethyl)-N-(piperidin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(methoxymethyl)-N-(piperidin-3-ylmethyl)pyrimidin-4-amine is COCc1cc(NCC2CCCNC2)nc(N2CCc3ccccc3C2)n1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(methoxymethyl)-N-(piperidin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is YFJCNNZIZULICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-27-15-19-11-20(23-13-16-5-4-9-22-12-16)25-21(24-19)26-10-8-17-6-2-3-7-18(17)14-26/h2-3,6-7,11,16,22H,4-5,8-10,12-15H2,1H3,(H,23,24,25).
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(methoxymethyl)-N-(piperidin-3-ylmethyl)pyrimidin-4-amine?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(methoxymethyl)-N-(piperidin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 367.50 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(methoxymethyl)-N-(piperidin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 71564248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).