4-amino-5-[[4-amino-2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-(2-methoxyphenyl)methyl]-2-(dimethylamino)-1H-pyrimidin-6-one

C20H26N8O3 — CID 136662786

IUPAC4-amino-5-[[4-amino-2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-(2-methoxyphenyl)methyl]-2-(dimethylamino)-1H-pyrimidin-6-one
SMILESCOc1ccccc1C(c1c(N)nc(N(C)C)[nH]c1=O)c1c(N)nc(N(C)C)[nH]c1=O
InChIInChI=1S/C20H26N8O3/c1-27(2)19-23-15(21)13(17(29)25-19)12(10-8-6-7-9-11(10)31-5)14-16(22)24-20(28(3)4)26-18(14)30/h6-9,12H,1-5H3,(H3,21,23,25,29)(H3,22,24,26,30)
InChIKeyJUBUAGGLLPOOMX-UHFFFAOYSA-N
MW426.48 g/mol
LogP0.34
Rot. Bonds6

About 4-amino-5-[[4-amino-2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-(2-methoxyphenyl)methyl]-2-(dimethylamino)-1H-pyrimidin-6-one

4-amino-5-[[4-amino-2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-(2-methoxyphenyl)methyl]-2-(dimethylamino)-1H-pyrimidin-6-one (PubChem CID 136662786) has the molecular formula C20H26N8O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is 4-amino-5-[[4-amino-2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-(2-methoxyphenyl)methyl]-2-(dimethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-[[4-amino-2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-(2-methoxyphenyl)methyl]-2-(dimethylamino)-1H-pyrimidin-6-one
PubChem CID136662786
Molecular FormulaC20H26N8O3
Molecular Weight426.48 g/mol
Exact Mass426.21
IUPAC Name4-amino-5-[[4-amino-2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-(2-methoxyphenyl)methyl]-2-(dimethylamino)-1H-pyrimidin-6-one
SMILESCOc1ccccc1C(c1c(N)nc(N(C)C)[nH]c1=O)c1c(N)nc(N(C)C)[nH]c1=O
InChIInChI=1S/C20H26N8O3/c1-27(2)19-23-15(21)13(17(29)25-19)12(10-8-6-7-9-11(10)31-5)14-16(22)24-20(28(3)4)26-18(14)30/h6-9,12H,1-5H3,(H3,21,23,25,29)(H3,22,24,26,30)
InChIKeyJUBUAGGLLPOOMX-UHFFFAOYSA-N
XLogP0.34
TPSA159.25 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

2-amino-5-(3-ethoxyphenyl)-3H,4H,5H,6H,7H,8H-pyrido(2,3-d)pyrimidine-4,7-dione
CID 142550463
5-benzyl-6-(4-(2-methoxyphenyl)piperidin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 44426790
2-[4-(2-methoxyphenyl)piperidin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136268378
5-(2-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
CID 3162456
2-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 155535415
6-hydroxy-5-[[4-hydroxy-2-(methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinyl](2-methoxyphenyl)methyl]-2-(methylsulfanyl)-4(3H)-pyrimidinone
CID 11836370
2-amino-5-(3-methoxyphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
CID 135472147
2-Amino-5-(3-propoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 142550455
2-Amino-5-(4-ethoxy-3-methylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 142550456
2-Amino-5-(3-prop-2-enoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 142550460
5-(4-methoxyphenyl)-5H-pyrano[2,3-d:6,5-d']dipyrimidine-4,6-diol
CID 3628478
5,5'-[(4-Methoxyphenyl)methanediyl]dipyrimidine-4,6-diol
CID 3121103

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[[4-amino-2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-(2-methoxyphenyl)methyl]-2-(dimethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-5-[[4-amino-2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-(2-methoxyphenyl)methyl]-2-(dimethylamino)-1H-pyrimidin-6-one (CID 136662786) is 4-amino-5-[[4-amino-2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-(2-methoxyphenyl)methyl]-2-(dimethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-[[4-amino-2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-(2-methoxyphenyl)methyl]-2-(dimethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-5-[[4-amino-2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-(2-methoxyphenyl)methyl]-2-(dimethylamino)-1H-pyrimidin-6-one is COc1ccccc1C(c1c(N)nc(N(C)C)[nH]c1=O)c1c(N)nc(N(C)C)[nH]c1=O.
What is the InChIKey of 4-amino-5-[[4-amino-2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-(2-methoxyphenyl)methyl]-2-(dimethylamino)-1H-pyrimidin-6-one?
The InChIKey is JUBUAGGLLPOOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O3/c1-27(2)19-23-15(21)13(17(29)25-19)12(10-8-6-7-9-11(10)31-5)14-16(22)24-20(28(3)4)26-18(14)30/h6-9,12H,1-5H3,(H3,21,23,25,29)(H3,22,24,26,30).
What are the key properties of 4-amino-5-[[4-amino-2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-(2-methoxyphenyl)methyl]-2-(dimethylamino)-1H-pyrimidin-6-one?
4-amino-5-[[4-amino-2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-(2-methoxyphenyl)methyl]-2-(dimethylamino)-1H-pyrimidin-6-one has a molecular weight of 426.48 g/mol, XLogP of 0.34, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[[4-amino-2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-(2-methoxyphenyl)methyl]-2-(dimethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136662786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).