N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide

C19H20N6O3 — CID 108801659

IUPACN-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
SMILESCc1cc(C)nc(Nc2cccc(NC(=O)CCn3ccc(=O)[nH]c3=O)c2)n1
InChIInChI=1S/C19H20N6O3/c1-12-10-13(2)21-18(20-12)23-15-5-3-4-14(11-15)22-16(26)6-8-25-9-7-17(27)24-19(25)28/h3-5,7,9-11H,6,8H2,1-2H3,(H,22,26)(H,20,21,23)(H,24,27,28)
InChIKeyONYSFUCSHGAUMT-UHFFFAOYSA-N
MW380.41 g/mol
LogP1.72
Rot. Bonds6

About N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide

N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide (PubChem CID 108801659) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
PubChem CID108801659
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC NameN-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
SMILESCc1cc(C)nc(Nc2cccc(NC(=O)CCn3ccc(=O)[nH]c3=O)c2)n1
InChIInChI=1S/C19H20N6O3/c1-12-10-13(2)21-18(20-12)23-15-5-3-4-14(11-15)22-16(26)6-8-25-9-7-17(27)24-19(25)28/h3-5,7,9-11H,6,8H2,1-2H3,(H,22,26)(H,20,21,23)(H,24,27,28)
InChIKeyONYSFUCSHGAUMT-UHFFFAOYSA-N
XLogP1.72
TPSA121.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4,6-dimethylpyrimidin-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 108801533
N'-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-N-(4-fluorophenyl)butanediamide
CID 108768464
3-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxyphenyl)propanamide
CID 108788631
N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108746207
N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-4-(4-methylphenoxy)butanamide
CID 108768505
N-(4-chloro-2-methylphenyl)-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 108801689
N-[4-(diethylamino)phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 35569669
3-(2,4-dioxopyrimidin-1-yl)-N-(2,4,6-trichlorophenyl)propanamide
CID 108788791
3-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-2-methylphenyl)propanamide
CID 108788652
N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-4-(4-ethylphenoxy)butanamide
CID 108768513
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 108801631
2-(2,4-dioxopyrimidin-1-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 26124104

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide?
The IUPAC name of N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide (CID 108801659) is N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide.
What is the SMILES notation for N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide?
The canonical SMILES for N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide is Cc1cc(C)nc(Nc2cccc(NC(=O)CCn3ccc(=O)[nH]c3=O)c2)n1.
What is the InChIKey of N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide?
The InChIKey is ONYSFUCSHGAUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-12-10-13(2)21-18(20-12)23-15-5-3-4-14(11-15)22-16(26)6-8-25-9-7-17(27)24-19(25)28/h3-5,7,9-11H,6,8H2,1-2H3,(H,22,26)(H,20,21,23)(H,24,27,28).
What are the key properties of N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide?
N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide has a molecular weight of 380.41 g/mol, XLogP of 1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 108801659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).