N-(4-chlorophenyl)-4-(pyrimidin-4-ylmethyl)phthalazin-1-amine

C19H14ClN5 — CID 6326418

IUPACN-(4-chlorophenyl)-4-(pyrimidin-4-ylmethyl)phthalazin-1-amine
SMILESClc1ccc(Nc2nnc(Cc3ccncn3)c3ccccc23)cc1
InChIInChI=1S/C19H14ClN5/c20-13-5-7-14(8-6-13)23-19-17-4-2-1-3-16(17)18(24-25-19)11-15-9-10-21-12-22-15/h1-10,12H,11H2,(H,23,25)
InChIKeyQGCUYXCPMZGMFQ-UHFFFAOYSA-N
MW347.81 g/mol
LogP4.41
Rot. Bonds4

About N-(4-chlorophenyl)-4-(pyrimidin-4-ylmethyl)phthalazin-1-amine

N-(4-chlorophenyl)-4-(pyrimidin-4-ylmethyl)phthalazin-1-amine (PubChem CID 6326418) has the molecular formula C19H14ClN5 and a molecular weight of 347.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(pyrimidin-4-ylmethyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(pyrimidin-4-ylmethyl)phthalazin-1-amine
PubChem CID6326418
Molecular FormulaC19H14ClN5
Molecular Weight347.81 g/mol
Exact Mass347.09
IUPAC NameN-(4-chlorophenyl)-4-(pyrimidin-4-ylmethyl)phthalazin-1-amine
SMILESClc1ccc(Nc2nnc(Cc3ccncn3)c3ccccc23)cc1
InChIInChI=1S/C19H14ClN5/c20-13-5-7-14(8-6-13)23-19-17-4-2-1-3-16(17)18(24-25-19)11-15-9-10-21-12-22-15/h1-10,12H,11H2,(H,23,25)
InChIKeyQGCUYXCPMZGMFQ-UHFFFAOYSA-N
XLogP4.41
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Vatalanib
CID 151194
Vatalanib Succinate
CID 151193
Benzo[c]-2,6-naphthyridin-5-amine, N-(2-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)-
CID 44222958
Vatalanib dihydrochloride
CID 22386467
4-N-(3-chlorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328070
N-(4-chlorophenyl)-4-[(2-methylpyridin-4-yl)methyl]phthalazin-1-amine
CID 6326419
N-(4-chlorophenyl)-4-[1-(pyridin-4-yl)ethyl]phthalazin-1-amine
CID 6326422
1-N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazine-1,7-diamine
CID 6419378
N-(4-chlorophenyl)-1-(pyridin-4-ylmethyl)pyrido[3,4-d]pyridazin-4-amine
CID 6419381
N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)pyrido[3,4-d]pyridazin-1-amine
CID 6419382
N-(4-chlorophenyl)-8-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-5-amine
CID 6419383
N-(4-chlorophenyl)-4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-amine
CID 6419385

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(pyrimidin-4-ylmethyl)phthalazin-1-amine?
The IUPAC name of N-(4-chlorophenyl)-4-(pyrimidin-4-ylmethyl)phthalazin-1-amine (CID 6326418) is N-(4-chlorophenyl)-4-(pyrimidin-4-ylmethyl)phthalazin-1-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4-(pyrimidin-4-ylmethyl)phthalazin-1-amine?
The canonical SMILES for N-(4-chlorophenyl)-4-(pyrimidin-4-ylmethyl)phthalazin-1-amine is Clc1ccc(Nc2nnc(Cc3ccncn3)c3ccccc23)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-(pyrimidin-4-ylmethyl)phthalazin-1-amine?
The InChIKey is QGCUYXCPMZGMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5/c20-13-5-7-14(8-6-13)23-19-17-4-2-1-3-16(17)18(24-25-19)11-15-9-10-21-12-22-15/h1-10,12H,11H2,(H,23,25).
What are the key properties of N-(4-chlorophenyl)-4-(pyrimidin-4-ylmethyl)phthalazin-1-amine?
N-(4-chlorophenyl)-4-(pyrimidin-4-ylmethyl)phthalazin-1-amine has a molecular weight of 347.81 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(pyrimidin-4-ylmethyl)phthalazin-1-amine is sourced from PubChem (CID 6326418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).