1-[4-[[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone

C19H19N5O2 — CID 19149093

IUPAC1-[4-[[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone
SMILESCOc1ccc(Nc2ncnc(Nc3ccc(C(C)=O)cc3)c2N)cc1
InChIInChI=1S/C19H19N5O2/c1-12(25)13-3-5-14(6-4-13)23-18-17(20)19(22-11-21-18)24-15-7-9-16(26-2)10-8-15/h3-11H,20H2,1-2H3,(H2,21,22,23,24)
InChIKeyCNQSNWDNPUFIKP-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.76
Rot. Bonds6

About 1-[4-[[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone

1-[4-[[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone (PubChem CID 19149093) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-[4-[[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone
PubChem CID19149093
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name1-[4-[[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone
SMILESCOc1ccc(Nc2ncnc(Nc3ccc(C(C)=O)cc3)c2N)cc1
InChIInChI=1S/C19H19N5O2/c1-12(25)13-3-5-14(6-4-13)23-18-17(20)19(22-11-21-18)24-15-7-9-16(26-2)10-8-15/h3-11H,20H2,1-2H3,(H2,21,22,23,24)
InChIKeyCNQSNWDNPUFIKP-UHFFFAOYSA-N
XLogP3.76
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[4-[[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone with MolForge

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Related Compounds

1-[4-[(5,6-diaminopyrimidin-4-yl)amino]phenyl]ethanone
CID 19137147
1-[4-[[6-(4-methoxyanilino)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone
CID 22533383
4-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19137145
4-[[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]amino]benzoic acid
CID 19151801
N'-[5-amino-6-(pyridin-4-ylamino)pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 22543504
1-[4-[[5-amino-6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 19148242
methyl 4-[[5-amino-6-(3-methoxyanilino)pyrimidin-4-yl]amino]benzoate
CID 22543914
6-N-(4-methoxyphenyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 19149157
4-[[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 19149280
1-[4-[[5-amino-6-[(5-bromo-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 19147207
1-[4-[[5-amino-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 22545200
1-[3-[[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547545

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[4-[[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone (CID 19149093) is 1-[4-[[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone is COc1ccc(Nc2ncnc(Nc3ccc(C(C)=O)cc3)c2N)cc1.
What is the InChIKey of 1-[4-[[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone?
The InChIKey is CNQSNWDNPUFIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-12(25)13-3-5-14(6-4-13)23-18-17(20)19(22-11-21-18)24-15-7-9-16(26-2)10-8-15/h3-11H,20H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 1-[4-[[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone?
1-[4-[[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone has a molecular weight of 349.39 g/mol, XLogP of 3.76, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone is sourced from PubChem (CID 19149093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).