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

C26H27N5O4 — CID 24861801

IUPAC6-[(2-amino-3-pyridinyl)methylamino]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2c(NCc3cccnc3N)cc(=O)n(Cc3ccc(OC)cc3)c2=O)cc1
InChIInChI=1S/C26H27N5O4/c1-34-21-9-5-18(6-10-21)16-30-23(29-15-20-4-3-13-28-25(20)27)14-24(32)31(26(30)33)17-19-7-11-22(35-2)12-8-19/h3-14,29H,15-17H2,1-2H3,(H2,27,28)
InChIKeyRHMRVWFGZSCBME-UHFFFAOYSA-N
MW473.53 g/mol
LogP2.71
Rot. Bonds9

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

6-[(2-amino-3-pyridinyl)methylamino]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione (PubChem CID 24861801) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is 6-[(2-amino-3-pyridinyl)methylamino]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(2-amino-3-pyridinyl)methylamino]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
PubChem CID24861801
Molecular FormulaC26H27N5O4
Molecular Weight473.53 g/mol
Exact Mass473.21
IUPAC Name6-[(2-amino-3-pyridinyl)methylamino]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2c(NCc3cccnc3N)cc(=O)n(Cc3ccc(OC)cc3)c2=O)cc1
InChIInChI=1S/C26H27N5O4/c1-34-21-9-5-18(6-10-21)16-30-23(29-15-20-4-3-13-28-25(20)27)14-24(32)31(26(30)33)17-19-7-11-22(35-2)12-8-19/h3-14,29H,15-17H2,1-2H3,(H2,27,28)
InChIKeyRHMRVWFGZSCBME-UHFFFAOYSA-N
XLogP2.71
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

6-[2-(2-amino-3-pyridinyl)ethyl]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 56639619
6-[(2-amino-4,6-dimethyl-3-pyridinyl)methylamino]-3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 24861600
6-[(2-amino-3-pyridinyl)methylamino]-3-[(4-methoxy-3-nitrophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione
CID 56596404
6-[2-(2-amino-3-pyridinyl)ethylamino]-3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione
CID 24861734
6-[(2-amino-3-pyridinyl)methylamino]-3-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione;6-[(2-amino-3-pyridinyl)methylamino]-3-[(4-hydroxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione;oxolane
CID 158154481
6-[[2-[2-(dimethylamino)ethylamino]-3-pyridinyl]methylamino]-1,3-bis[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione
CID 24861818
2-[2-[[3-[(4-hydroxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-2,6-dioxopyrimidin-4-yl]amino]ethyl]guanidine
CID 91084536
6-chloro-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 57423840
3-butyl-6-hydrazinyl-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 14100173
1,3-bis[(4-methoxyphenyl)methyl]-6-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-1,3,5-triazine-2,4-dione
CID 25105963
6-chloro-1-[(4-ethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 143501880
10-[(4-methoxyphenyl)methyl]pyrido[2,3-b][1,8]naphthyridin-5-one
CID 132515576

Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-3-pyridinyl)methylamino]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 6-[(2-amino-3-pyridinyl)methylamino]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione (CID 24861801) is 6-[(2-amino-3-pyridinyl)methylamino]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(2-amino-3-pyridinyl)methylamino]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-[(2-amino-3-pyridinyl)methylamino]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione is COc1ccc(Cn2c(NCc3cccnc3N)cc(=O)n(Cc3ccc(OC)cc3)c2=O)cc1.
What is the InChIKey of 6-[(2-amino-3-pyridinyl)methylamino]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is RHMRVWFGZSCBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4/c1-34-21-9-5-18(6-10-21)16-30-23(29-15-20-4-3-13-28-25(20)27)14-24(32)31(26(30)33)17-19-7-11-22(35-2)12-8-19/h3-14,29H,15-17H2,1-2H3,(H2,27,28).
What are the key properties of 6-[(2-amino-3-pyridinyl)methylamino]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
6-[(2-amino-3-pyridinyl)methylamino]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 473.53 g/mol, XLogP of 2.71, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-3-pyridinyl)methylamino]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 24861801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).