6-amino-1-benzyl-5-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione

C18H19N5O2 — CID 78807351

IUPAC6-amino-1-benzyl-5-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione
SMILESCN(Cc1cccnc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C18H19N5O2/c1-22(11-14-8-5-9-20-10-14)15-16(19)23(18(25)21-17(15)24)12-13-6-3-2-4-7-13/h2-10H,11-12,19H2,1H3,(H,21,24,25)
InChIKeyJJYDLQAGKOCFKB-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.20
Rot. Bonds5

About 6-amino-1-benzyl-5-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione

6-amino-1-benzyl-5-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione (PubChem CID 78807351) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 6-amino-1-benzyl-5-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-5-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione
PubChem CID78807351
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name6-amino-1-benzyl-5-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione
SMILESCN(Cc1cccnc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C18H19N5O2/c1-22(11-14-8-5-9-20-10-14)15-16(19)23(18(25)21-17(15)24)12-13-6-3-2-4-7-13/h2-10H,11-12,19H2,1H3,(H,21,24,25)
InChIKeyJJYDLQAGKOCFKB-UHFFFAOYSA-N
XLogP1.20
TPSA97.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-1-benzyl-5-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]pyrimidine-2,4-dione
CID 55500269
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55667044
6-amino-1-benzyl-5-[(2,4-dichlorophenyl)methyl-methylamino]pyrimidine-2,4-dione
CID 55387279
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylpropanamide
CID 52895782
6-amino-1-benzyl-5-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]pyrimidine-2,4-dione
CID 47069566
6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione
CID 78860414
6-amino-1-benzyl-5-[methyl-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]amino]pyrimidine-2,4-dione
CID 86796207
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78836330
methyl 2-[[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 55478363
(3R)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenylbutanamide
CID 8025303
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-ethyl-N-methylbenzamide
CID 7998139
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 55477513

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-5-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-5-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione (CID 78807351) is 6-amino-1-benzyl-5-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-5-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-5-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione is CN(Cc1cccnc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-benzyl-5-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione?
The InChIKey is JJYDLQAGKOCFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-22(11-14-8-5-9-20-10-14)15-16(19)23(18(25)21-17(15)24)12-13-6-3-2-4-7-13/h2-10H,11-12,19H2,1H3,(H,21,24,25).
What are the key properties of 6-amino-1-benzyl-5-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione?
6-amino-1-benzyl-5-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione has a molecular weight of 337.38 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-benzyl-5-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione is sourced from PubChem (CID 78807351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).