1-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-(3-methoxyphenyl)urea

C21H24N6O2 — CID 44522247

IUPAC1-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)c1
InChIInChI=1S/C21H24N6O2/c1-14-12-19(27(2)3)26-20(22-14)23-15-8-10-16(11-9-15)24-21(28)25-17-6-5-7-18(13-17)29-4/h5-13H,1-4H3,(H,22,23,26)(H2,24,25,28)
InChIKeyIYHLWFXGVAYRRB-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.25
Rot. Bonds6

About 1-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-(3-methoxyphenyl)urea

1-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-(3-methoxyphenyl)urea (PubChem CID 44522247) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-(3-methoxyphenyl)urea
PubChem CID44522247
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name1-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)c1
InChIInChI=1S/C21H24N6O2/c1-14-12-19(27(2)3)26-20(22-14)23-15-8-10-16(11-9-15)24-21(28)25-17-6-5-7-18(13-17)29-4/h5-13H,1-4H3,(H,22,23,26)(H2,24,25,28)
InChIKeyIYHLWFXGVAYRRB-UHFFFAOYSA-N
XLogP4.25
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-(3-methoxyphenyl)urea with MolForge

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Related Compounds

N~2~-{4-methoxy-3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-N~4~,6-dimethylpyrimidine-2,4-diamine
CID 132021720
1-(3-Methoxyphenyl)-3-(6-methylpyridin-2-yl)urea
CID 769376
N-(4-methoxyphenyl)-N'-phenylpyrimidine-4,6-diamine
CID 22432844
(4-Ethoxyphenyl){6-[(4-ethoxyphenyl)amino]-4-methylpyrimidin-2-yl}amine
CID 1068699
1-Ethyl-3-(3-{2-methoxy-6-[2-(4-methoxy-phenyl)-ethylamino]-pyrimidin-4-yl]-phenyl)-urea
CID 11495480
N-[2-(3-methoxyanilino)-4-pyrimidinyl]-N-(3-methoxyphenyl)amine
CID 16044634
N-[3-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
CID 42628508
2-N-(4-methoxyphenyl)-6-piperidin-1-yl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 54764328
2-N-(4-methoxyphenyl)-6-piperidin-1-yl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 54764411
3-(3,5-Dimethoxyphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea
CID 56594617
1-(2-Chloro-5-methoxyphenyl)-3-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea
CID 56594743
6-(azepan-1-yl)-4-N-(3-fluoro-4-methoxyphenyl)-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 57390716

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-(3-methoxyphenyl)urea (CID 44522247) is 1-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)c1.
What is the InChIKey of 1-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-(3-methoxyphenyl)urea?
The InChIKey is IYHLWFXGVAYRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-14-12-19(27(2)3)26-20(22-14)23-15-8-10-16(11-9-15)24-21(28)25-17-6-5-7-18(13-17)29-4/h5-13H,1-4H3,(H,22,23,26)(H2,24,25,28).
What are the key properties of 1-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-(3-methoxyphenyl)urea?
1-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-(3-methoxyphenyl)urea has a molecular weight of 392.46 g/mol, XLogP of 4.25, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 44522247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).