6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]pyrimidine-2,4-dione

C22H28N4O3 — CID 27194199

IUPAC6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(C(=O)CN2CC=C(c3ccccc3)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C22H28N4O3/c1-15(2)13-26-20(23)19(21(28)24(3)22(26)29)18(27)14-25-11-9-17(10-12-25)16-7-5-4-6-8-16/h4-9,15H,10-14,23H2,1-3H3
InChIKeyIPLPCVITICCPNB-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.76
Rot. Bonds6

About 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]pyrimidine-2,4-dione

6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]pyrimidine-2,4-dione (PubChem CID 27194199) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]pyrimidine-2,4-dione
PubChem CID27194199
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(C(=O)CN2CC=C(c3ccccc3)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C22H28N4O3/c1-15(2)13-26-20(23)19(21(28)24(3)22(26)29)18(27)14-25-11-9-17(10-12-25)16-7-5-4-6-8-16/h4-9,15H,10-14,23H2,1-3H3
InChIKeyIPLPCVITICCPNB-UHFFFAOYSA-N
XLogP1.76
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]pyrimidine-2,4-dione (CID 27194199) is 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]pyrimidine-2,4-dione is CC(C)Cn1c(N)c(C(=O)CN2CC=C(c3ccccc3)CC2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]pyrimidine-2,4-dione?
The InChIKey is IPLPCVITICCPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-15(2)13-26-20(23)19(21(28)24(3)22(26)29)18(27)14-25-11-9-17(10-12-25)16-7-5-4-6-8-16/h4-9,15H,10-14,23H2,1-3H3.
What are the key properties of 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]pyrimidine-2,4-dione?
6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]pyrimidine-2,4-dione has a molecular weight of 396.49 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 27194199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).