4-anilino-2-[(2,3-dimethoxyphenyl)methylamino]pyrimidine-5-carboxamide

C20H21N5O3 — CID 71237726

IUPAC4-anilino-2-[(2,3-dimethoxyphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCOc1cccc(CNc2ncc(C(N)=O)c(Nc3ccccc3)n2)c1OC
InChIInChI=1S/C20H21N5O3/c1-27-16-10-6-7-13(17(16)28-2)11-22-20-23-12-15(18(21)26)19(25-20)24-14-8-4-3-5-9-14/h3-10,12H,11H2,1-2H3,(H2,21,26)(H2,22,23,24,25)
InChIKeySONJYRJERDHSEV-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.95
Rot. Bonds8

About 4-anilino-2-[(2,3-dimethoxyphenyl)methylamino]pyrimidine-5-carboxamide

4-anilino-2-[(2,3-dimethoxyphenyl)methylamino]pyrimidine-5-carboxamide (PubChem CID 71237726) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 4-anilino-2-[(2,3-dimethoxyphenyl)methylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-anilino-2-[(2,3-dimethoxyphenyl)methylamino]pyrimidine-5-carboxamide
PubChem CID71237726
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name4-anilino-2-[(2,3-dimethoxyphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCOc1cccc(CNc2ncc(C(N)=O)c(Nc3ccccc3)n2)c1OC
InChIInChI=1S/C20H21N5O3/c1-27-16-10-6-7-13(17(16)28-2)11-22-20-23-12-15(18(21)26)19(25-20)24-14-8-4-3-5-9-14/h3-10,12H,11H2,1-2H3,(H2,21,26)(H2,22,23,24,25)
InChIKeySONJYRJERDHSEV-UHFFFAOYSA-N
XLogP2.95
TPSA111.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-methoxyanilino)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 59145704
2-(2-aminoethylamino)-4-anilinopyrimidine-5-carboxamide
CID 22958832
2-(2-aminoethylamino)-4-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 15458392
4-anilino-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 66576719
4-[(4-anilino-5-carbamoylpyrimidin-2-yl)amino]benzoic acid
CID 143285070
2-(2-aminopropylamino)-4-(4-carbamoyl-3-methoxyanilino)pyrimidine-5-carboxamide
CID 67002750
2-[(5-acetamido-2-methoxyphenyl)methyl]-4-anilinopyrimidine-5-carboxamide
CID 159634917
4-anilino-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxamide
CID 71237297
5-amino-2-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 61357803
2-anilino-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 50830665
3-[[2-(2-aminoethylamino)-5-carbamoylpyrimidin-4-yl]amino]benzoic acid
CID 18460852
2-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-4-(3,5-dimethoxyanilino)pyrimidine-5-carboxamide
CID 59199817

Frequently Asked Questions

What is the IUPAC name of 4-anilino-2-[(2,3-dimethoxyphenyl)methylamino]pyrimidine-5-carboxamide?
The IUPAC name of 4-anilino-2-[(2,3-dimethoxyphenyl)methylamino]pyrimidine-5-carboxamide (CID 71237726) is 4-anilino-2-[(2,3-dimethoxyphenyl)methylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-anilino-2-[(2,3-dimethoxyphenyl)methylamino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-anilino-2-[(2,3-dimethoxyphenyl)methylamino]pyrimidine-5-carboxamide is COc1cccc(CNc2ncc(C(N)=O)c(Nc3ccccc3)n2)c1OC.
What is the InChIKey of 4-anilino-2-[(2,3-dimethoxyphenyl)methylamino]pyrimidine-5-carboxamide?
The InChIKey is SONJYRJERDHSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-27-16-10-6-7-13(17(16)28-2)11-22-20-23-12-15(18(21)26)19(25-20)24-14-8-4-3-5-9-14/h3-10,12H,11H2,1-2H3,(H2,21,26)(H2,22,23,24,25).
What are the key properties of 4-anilino-2-[(2,3-dimethoxyphenyl)methylamino]pyrimidine-5-carboxamide?
4-anilino-2-[(2,3-dimethoxyphenyl)methylamino]pyrimidine-5-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 2.95, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-2-[(2,3-dimethoxyphenyl)methylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 71237726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).