2-[3-(2-methoxypropanoylamino)anilino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide

C23H26N6O3 — CID 91053236

IUPAC2-[3-(2-methoxypropanoylamino)anilino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide
SMILESCOC(C)C(=O)Nc1cccc(Nc2ncc(C(N)=O)c(NCCc3ccccc3)n2)c1
InChIInChI=1S/C23H26N6O3/c1-15(32-2)22(31)27-17-9-6-10-18(13-17)28-23-26-14-19(20(24)30)21(29-23)25-12-11-16-7-4-3-5-8-16/h3-10,13-15H,11-12H2,1-2H3,(H2,24,30)(H,27,31)(H2,25,26,28,29)
InChIKeyQOWCZDXVSNPGRI-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.95
Rot. Bonds10

About 2-[3-(2-methoxypropanoylamino)anilino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide

2-[3-(2-methoxypropanoylamino)anilino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide (PubChem CID 91053236) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 2-[3-(2-methoxypropanoylamino)anilino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[3-(2-methoxypropanoylamino)anilino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide
PubChem CID91053236
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC Name2-[3-(2-methoxypropanoylamino)anilino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide
SMILESCOC(C)C(=O)Nc1cccc(Nc2ncc(C(N)=O)c(NCCc3ccccc3)n2)c1
InChIInChI=1S/C23H26N6O3/c1-15(32-2)22(31)27-17-9-6-10-18(13-17)28-23-26-14-19(20(24)30)21(29-23)25-12-11-16-7-4-3-5-8-16/h3-10,13-15H,11-12H2,1-2H3,(H2,24,30)(H,27,31)(H2,25,26,28,29)
InChIKeyQOWCZDXVSNPGRI-UHFFFAOYSA-N
XLogP2.95
TPSA131.26 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-[[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]amino]anilino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 68757613
4-(benzylamino)-2-[3-(carbamoylamino)anilino]pyrimidine-5-carboxamide
CID 58098627
2-(3-acetamidoanilino)-4-[[(2S)-2-phenylpropyl]amino]pyrimidine-5-carboxamide
CID 66841229
4-(benzylamino)-2-[3-(2,5-dihydropyrrole-1-carbonylamino)anilino]pyrimidine-5-carboxamide
CID 66841654
4-[(4-fluorophenyl)methylamino]-2-[3-[(2-methoxyacetyl)amino]anilino]pyrimidine-5-carboxamide
CID 58098804
4-(benzylamino)-2-[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]pyrimidine-5-carboxamide
CID 70832993
4-(benzylamino)-2-[3-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]anilino]pyrimidine-5-carboxamide
CID 58098906
2-(3-acetamidoanilino)-5-cyano-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 69284689
2-[3-(methylamino)anilino]-4-[[(1R)-1-phenylethyl]amino]pyrimidine-5-carboxamide
CID 70832990
4-(benzylamino)-2-[4-(2-hydroxyethyl)anilino]pyrimidine-5-carboxamide
CID 44561384
4-anilino-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 66576719
2-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 154628241

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxypropanoylamino)anilino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide?
The IUPAC name of 2-[3-(2-methoxypropanoylamino)anilino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide (CID 91053236) is 2-[3-(2-methoxypropanoylamino)anilino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[3-(2-methoxypropanoylamino)anilino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[3-(2-methoxypropanoylamino)anilino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide is COC(C)C(=O)Nc1cccc(Nc2ncc(C(N)=O)c(NCCc3ccccc3)n2)c1.
What is the InChIKey of 2-[3-(2-methoxypropanoylamino)anilino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide?
The InChIKey is QOWCZDXVSNPGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-15(32-2)22(31)27-17-9-6-10-18(13-17)28-23-26-14-19(20(24)30)21(29-23)25-12-11-16-7-4-3-5-8-16/h3-10,13-15H,11-12H2,1-2H3,(H2,24,30)(H,27,31)(H2,25,26,28,29).
What are the key properties of 2-[3-(2-methoxypropanoylamino)anilino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide?
2-[3-(2-methoxypropanoylamino)anilino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 2.95, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxypropanoylamino)anilino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 91053236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).