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

C24H27N5 — CID 112861244

IUPAC6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-piperidin-1-ylphenyl)pyrimidin-4-amine
SMILESc1ccc2c(c1)CCN(c1cc(Nc3ccc(N4CCCCC4)cc3)ncn1)C2
InChIInChI=1S/C24H27N5/c1-4-13-28(14-5-1)22-10-8-21(9-11-22)27-23-16-24(26-18-25-23)29-15-12-19-6-2-3-7-20(19)17-29/h2-3,6-11,16,18H,1,4-5,12-15,17H2,(H,25,26,27)
InChIKeyUIDSXLLKDICSOA-UHFFFAOYSA-N
MW385.52 g/mol
LogP4.77
Rot. Bonds4

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

6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-piperidin-1-ylphenyl)pyrimidin-4-amine (PubChem CID 112861244) has the molecular formula C24H27N5 and a molecular weight of 385.52 g/mol. Its IUPAC name is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-piperidin-1-ylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-piperidin-1-ylphenyl)pyrimidin-4-amine
PubChem CID112861244
Molecular FormulaC24H27N5
Molecular Weight385.52 g/mol
Exact Mass385.23
IUPAC Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-piperidin-1-ylphenyl)pyrimidin-4-amine
SMILESc1ccc2c(c1)CCN(c1cc(Nc3ccc(N4CCCCC4)cc3)ncn1)C2
InChIInChI=1S/C24H27N5/c1-4-13-28(14-5-1)22-10-8-21(9-11-22)27-23-16-24(26-18-25-23)29-15-12-19-6-2-3-7-20(19)17-29/h2-3,6-11,16,18H,1,4-5,12-15,17H2,(H,25,26,27)
InChIKeyUIDSXLLKDICSOA-UHFFFAOYSA-N
XLogP4.77
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-N-phenyl-4-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
CID 122282330
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
CID 112861254
6-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-N-(3-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 170207503
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112861158
N-[3-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 53362968
N-(4-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112862245
2-[[6-(4-piperidin-1-ylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112866933
6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine
CID 80831853
1-(6-anilinopyrimidin-4-yl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)azepin-4-ol
CID 162745142
N-butan-2-yl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-amine
CID 112855480
4-[[6-[(3S)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]pyrimidin-4-yl]amino]benzonitrile
CID 163508269
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine
CID 112863738

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-piperidin-1-ylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-piperidin-1-ylphenyl)pyrimidin-4-amine (CID 112861244) is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-piperidin-1-ylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-piperidin-1-ylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-piperidin-1-ylphenyl)pyrimidin-4-amine is c1ccc2c(c1)CCN(c1cc(Nc3ccc(N4CCCCC4)cc3)ncn1)C2.
What is the InChIKey of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-piperidin-1-ylphenyl)pyrimidin-4-amine?
The InChIKey is UIDSXLLKDICSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5/c1-4-13-28(14-5-1)22-10-8-21(9-11-22)27-23-16-24(26-18-25-23)29-15-12-19-6-2-3-7-20(19)17-29/h2-3,6-11,16,18H,1,4-5,12-15,17H2,(H,25,26,27).
What are the key properties of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-piperidin-1-ylphenyl)pyrimidin-4-amine?
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-piperidin-1-ylphenyl)pyrimidin-4-amine has a molecular weight of 385.52 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-piperidin-1-ylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 112861244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).