6-[2-(2-amino-3-pyridinyl)ethyl]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione

C27H28N4O4 — CID 56639619

IUPAC6-[2-(2-amino-3-pyridinyl)ethyl]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2c(CCc3cccnc3N)cc(=O)n(Cc3ccc(OC)cc3)c2=O)cc1
InChIInChI=1S/C27H28N4O4/c1-34-23-11-5-19(6-12-23)17-30-22(10-9-21-4-3-15-29-26(21)28)16-25(32)31(27(30)33)18-20-7-13-24(35-2)14-8-20/h3-8,11-16H,9-10,17-18H2,1-2H3,(H2,28,29)
InChIKeyRCQCXOXYYQDVTC-UHFFFAOYSA-N
MW472.55 g/mol
LogP2.89
Rot. Bonds9

About 6-[2-(2-amino-3-pyridinyl)ethyl]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione

6-[2-(2-amino-3-pyridinyl)ethyl]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione (PubChem CID 56639619) has the molecular formula C27H28N4O4 and a molecular weight of 472.55 g/mol. Its IUPAC name is 6-[2-(2-amino-3-pyridinyl)ethyl]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-(2-amino-3-pyridinyl)ethyl]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
PubChem CID56639619
Molecular FormulaC27H28N4O4
Molecular Weight472.55 g/mol
Exact Mass472.21
IUPAC Name6-[2-(2-amino-3-pyridinyl)ethyl]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2c(CCc3cccnc3N)cc(=O)n(Cc3ccc(OC)cc3)c2=O)cc1
InChIInChI=1S/C27H28N4O4/c1-34-23-11-5-19(6-12-23)17-30-22(10-9-21-4-3-15-29-26(21)28)16-25(32)31(27(30)33)18-20-7-13-24(35-2)14-8-20/h3-8,11-16H,9-10,17-18H2,1-2H3,(H2,28,29)
InChIKeyRCQCXOXYYQDVTC-UHFFFAOYSA-N
XLogP2.89
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-amino-3-pyridinyl)ethyl]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 6-[2-(2-amino-3-pyridinyl)ethyl]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione (CID 56639619) is 6-[2-(2-amino-3-pyridinyl)ethyl]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-(2-amino-3-pyridinyl)ethyl]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-(2-amino-3-pyridinyl)ethyl]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione is COc1ccc(Cn2c(CCc3cccnc3N)cc(=O)n(Cc3ccc(OC)cc3)c2=O)cc1.
What is the InChIKey of 6-[2-(2-amino-3-pyridinyl)ethyl]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is RCQCXOXYYQDVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O4/c1-34-23-11-5-19(6-12-23)17-30-22(10-9-21-4-3-15-29-26(21)28)16-25(32)31(27(30)33)18-20-7-13-24(35-2)14-8-20/h3-8,11-16H,9-10,17-18H2,1-2H3,(H2,28,29).
What are the key properties of 6-[2-(2-amino-3-pyridinyl)ethyl]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
6-[2-(2-amino-3-pyridinyl)ethyl]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 472.55 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-amino-3-pyridinyl)ethyl]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 56639619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).