1-[3-[[4-[(2-methoxyphenyl)methylamino]pyrimidin-2-yl]amino]phenyl]ethanone

C20H20N4O2 — CID 112892209

IUPAC1-[3-[[4-[(2-methoxyphenyl)methylamino]pyrimidin-2-yl]amino]phenyl]ethanone
SMILESCOc1ccccc1CNc1ccnc(Nc2cccc(C(C)=O)c2)n1
InChIInChI=1S/C20H20N4O2/c1-14(25)15-7-5-8-17(12-15)23-20-21-11-10-19(24-20)22-13-16-6-3-4-9-18(16)26-2/h3-12H,13H2,1-2H3,(H2,21,22,23,24)
InChIKeyMQHSEIUFBRXYBZ-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.04
Rot. Bonds7

About 1-[3-[[4-[(2-methoxyphenyl)methylamino]pyrimidin-2-yl]amino]phenyl]ethanone

1-[3-[[4-[(2-methoxyphenyl)methylamino]pyrimidin-2-yl]amino]phenyl]ethanone (PubChem CID 112892209) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-[3-[[4-[(2-methoxyphenyl)methylamino]pyrimidin-2-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[4-[(2-methoxyphenyl)methylamino]pyrimidin-2-yl]amino]phenyl]ethanone
PubChem CID112892209
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-[3-[[4-[(2-methoxyphenyl)methylamino]pyrimidin-2-yl]amino]phenyl]ethanone
SMILESCOc1ccccc1CNc1ccnc(Nc2cccc(C(C)=O)c2)n1
InChIInChI=1S/C20H20N4O2/c1-14(25)15-7-5-8-17(12-15)23-20-21-11-10-19(24-20)22-13-16-6-3-4-9-18(16)26-2/h3-12H,13H2,1-2H3,(H2,21,22,23,24)
InChIKeyMQHSEIUFBRXYBZ-UHFFFAOYSA-N
XLogP4.04
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-[[4-[(2-methoxyphenyl)methylamino]pyrimidin-2-yl]amino]phenyl]ethanone with MolForge

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Related Compounds

1-[3-[[4-(furan-2-ylmethylamino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112889220
methyl 3-[[4-[(2-methoxyphenyl)methylamino]-6-methylpyrimidin-2-yl]amino]benzoate
CID 112918264
2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892179
2-N-(3-bromo-4-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892194
2-N-(4-ethylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892170
4-N-[(2-methoxyphenyl)methyl]-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112892223
methyl 3-[[4-(pyridin-4-ylmethylamino)pyrimidin-2-yl]amino]benzoate
CID 112893770
2-N-(4-ethoxyphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892199
4-N-[(2-fluorophenyl)methyl]-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 112891171
methyl 3-[[4-[(4-methoxyphenyl)methylamino]pyrimidin-2-yl]amino]benzoate
CID 112892481
4-N-[(2-methoxyphenyl)methyl]-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112892157
methyl 3-[[2-[(2-methoxyphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate
CID 109171161

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-[(2-methoxyphenyl)methylamino]pyrimidin-2-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[3-[[4-[(2-methoxyphenyl)methylamino]pyrimidin-2-yl]amino]phenyl]ethanone (CID 112892209) is 1-[3-[[4-[(2-methoxyphenyl)methylamino]pyrimidin-2-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[4-[(2-methoxyphenyl)methylamino]pyrimidin-2-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[3-[[4-[(2-methoxyphenyl)methylamino]pyrimidin-2-yl]amino]phenyl]ethanone is COc1ccccc1CNc1ccnc(Nc2cccc(C(C)=O)c2)n1.
What is the InChIKey of 1-[3-[[4-[(2-methoxyphenyl)methylamino]pyrimidin-2-yl]amino]phenyl]ethanone?
The InChIKey is MQHSEIUFBRXYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14(25)15-7-5-8-17(12-15)23-20-21-11-10-19(24-20)22-13-16-6-3-4-9-18(16)26-2/h3-12H,13H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 1-[3-[[4-[(2-methoxyphenyl)methylamino]pyrimidin-2-yl]amino]phenyl]ethanone?
1-[3-[[4-[(2-methoxyphenyl)methylamino]pyrimidin-2-yl]amino]phenyl]ethanone has a molecular weight of 348.41 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-[(2-methoxyphenyl)methylamino]pyrimidin-2-yl]amino]phenyl]ethanone is sourced from PubChem (CID 112892209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).