N-(2,4-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine

C19H16F2N4 — CID 112894310

IUPACN-(2,4-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine
SMILESFc1ccc(Nc2nccc(N3CCc4ccccc4C3)n2)c(F)c1
InChIInChI=1S/C19H16F2N4/c20-15-5-6-17(16(21)11-15)23-19-22-9-7-18(24-19)25-10-8-13-3-1-2-4-14(13)12-25/h1-7,9,11H,8,10,12H2,(H,22,23,24)
InChIKeyBVYPWCYPPCMKEF-UHFFFAOYSA-N
MW338.36 g/mol
LogP4.06
Rot. Bonds3

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

N-(2,4-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine (PubChem CID 112894310) has the molecular formula C19H16F2N4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine
PubChem CID112894310
Molecular FormulaC19H16F2N4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-(2,4-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine
SMILESFc1ccc(Nc2nccc(N3CCc4ccccc4C3)n2)c(F)c1
InChIInChI=1S/C19H16F2N4/c20-15-5-6-17(16(21)11-15)23-19-22-9-7-18(24-19)25-10-8-13-3-1-2-4-14(13)12-25/h1-7,9,11H,8,10,12H2,(H,22,23,24)
InChIKeyBVYPWCYPPCMKEF-UHFFFAOYSA-N
XLogP4.06
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884594
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 112894284
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)pyrimidin-2-amine
CID 112899619
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]quinolin-8-amine
CID 112894308
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine
CID 112894274
N-(2,4-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide
CID 109213927
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)pyrimidin-2-amine
CID 112885872
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)pyrimidin-2-amine
CID 112886203
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluorophenyl)-6-methylpyrimidin-2-amine
CID 112920388
2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112894219
N-(3,4-difluorophenyl)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine
CID 112899633
N-(2,4-difluorophenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112955512

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine?
The IUPAC name of N-(2,4-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine (CID 112894310) is N-(2,4-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-(2,4-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine is Fc1ccc(Nc2nccc(N3CCc4ccccc4C3)n2)c(F)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine?
The InChIKey is BVYPWCYPPCMKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4/c20-15-5-6-17(16(21)11-15)23-19-22-9-7-18(24-19)25-10-8-13-3-1-2-4-14(13)12-25/h1-7,9,11H,8,10,12H2,(H,22,23,24).
What are the key properties of N-(2,4-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine?
N-(2,4-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine has a molecular weight of 338.36 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 112894310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).