5-[1-[ethyl(methyl)amino]ethenyl]-N-(3-ethyl-4-propylphenyl)-4-methylpyrimidin-2-amine

C21H30N4 — CID 176966947

IUPAC5-[1-[ethyl(methyl)amino]ethenyl]-N-(3-ethyl-4-propylphenyl)-4-methylpyrimidin-2-amine
SMILESC=C(c1cnc(Nc2ccc(CCC)c(CC)c2)nc1C)N(C)CC
InChIInChI=1S/C21H30N4/c1-7-10-18-11-12-19(13-17(18)8-2)24-21-22-14-20(15(4)23-21)16(5)25(6)9-3/h11-14H,5,7-10H2,1-4,6H3,(H,22,23,24)
InChIKeyHBPUEMKGKDSPCA-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.97
Rot. Bonds8

About 5-[1-[ethyl(methyl)amino]ethenyl]-N-(3-ethyl-4-propylphenyl)-4-methylpyrimidin-2-amine

5-[1-[ethyl(methyl)amino]ethenyl]-N-(3-ethyl-4-propylphenyl)-4-methylpyrimidin-2-amine (PubChem CID 176966947) has the molecular formula C21H30N4 and a molecular weight of 338.50 g/mol. Its IUPAC name is 5-[1-[ethyl(methyl)amino]ethenyl]-N-(3-ethyl-4-propylphenyl)-4-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[1-[ethyl(methyl)amino]ethenyl]-N-(3-ethyl-4-propylphenyl)-4-methylpyrimidin-2-amine
PubChem CID176966947
Molecular FormulaC21H30N4
Molecular Weight338.50 g/mol
Exact Mass338.25
IUPAC Name5-[1-[ethyl(methyl)amino]ethenyl]-N-(3-ethyl-4-propylphenyl)-4-methylpyrimidin-2-amine
SMILESC=C(c1cnc(Nc2ccc(CCC)c(CC)c2)nc1C)N(C)CC
InChIInChI=1S/C21H30N4/c1-7-10-18-11-12-19(13-17(18)8-2)24-21-22-14-20(15(4)23-21)16(5)25(6)9-3/h11-14H,5,7-10H2,1-4,6H3,(H,22,23,24)
InChIKeyHBPUEMKGKDSPCA-UHFFFAOYSA-N
XLogP4.97
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(3-ethyl-4-propylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]-3-phenylpropan-1-ol
CID 167116172
2-(3,4-dichloroanilino)-4-methylpyrimidine-5-carboxylic acid
CID 83182017
2-(4-ethoxyanilino)-4-methylpyrimidine-5-carboxylic acid
CID 83181278
acetylene;1-[2-(4-tert-butyl-3-propylanilino)-4-methylpyrimidin-5-yl]ethanone;N-[(Z)-1-cyclopropylprop-1-enyl]propan-2-imine;ethane;propane
CID 176966668
N-[2-methyl-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 70668247
2-(3-bromoanilino)-4-methylpyrimidine-5-carboxylic acid
CID 83181581
2-(4-bromo-3-methoxyanilino)-4-methylpyrimidine-5-carboxylic acid
CID 83184960
ethyl 2-(3,5-dichloroanilino)-4-methylpyrimidine-5-carboxylate
CID 17121379
4-methyl-2-(4-propan-2-ylanilino)pyrimidine-5-carboxylic acid
CID 83181873
N-(4-ethyl-3-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 114250739
2-[2-[ethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83181383
4-methyl-2-(pyridin-3-ylamino)pyrimidine-5-carboxylic acid
CID 83181577

Frequently Asked Questions

What is the IUPAC name of 5-[1-[ethyl(methyl)amino]ethenyl]-N-(3-ethyl-4-propylphenyl)-4-methylpyrimidin-2-amine?
The IUPAC name of 5-[1-[ethyl(methyl)amino]ethenyl]-N-(3-ethyl-4-propylphenyl)-4-methylpyrimidin-2-amine (CID 176966947) is 5-[1-[ethyl(methyl)amino]ethenyl]-N-(3-ethyl-4-propylphenyl)-4-methylpyrimidin-2-amine.
What is the SMILES notation for 5-[1-[ethyl(methyl)amino]ethenyl]-N-(3-ethyl-4-propylphenyl)-4-methylpyrimidin-2-amine?
The canonical SMILES for 5-[1-[ethyl(methyl)amino]ethenyl]-N-(3-ethyl-4-propylphenyl)-4-methylpyrimidin-2-amine is C=C(c1cnc(Nc2ccc(CCC)c(CC)c2)nc1C)N(C)CC.
What is the InChIKey of 5-[1-[ethyl(methyl)amino]ethenyl]-N-(3-ethyl-4-propylphenyl)-4-methylpyrimidin-2-amine?
The InChIKey is HBPUEMKGKDSPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4/c1-7-10-18-11-12-19(13-17(18)8-2)24-21-22-14-20(15(4)23-21)16(5)25(6)9-3/h11-14H,5,7-10H2,1-4,6H3,(H,22,23,24).
What are the key properties of 5-[1-[ethyl(methyl)amino]ethenyl]-N-(3-ethyl-4-propylphenyl)-4-methylpyrimidin-2-amine?
5-[1-[ethyl(methyl)amino]ethenyl]-N-(3-ethyl-4-propylphenyl)-4-methylpyrimidin-2-amine has a molecular weight of 338.50 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[ethyl(methyl)amino]ethenyl]-N-(3-ethyl-4-propylphenyl)-4-methylpyrimidin-2-amine is sourced from PubChem (CID 176966947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).