8-[(6-aminopyrimidin-4-yl)amino]-10-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,4]diazepine-1,7-dione

C14H16N6O2 — CID 118599020

IUPAC8-[(6-aminopyrimidin-4-yl)amino]-10-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,4]diazepine-1,7-dione
SMILESCc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NCCC2
InChIInChI=1S/C14H16N6O2/c1-8-5-9(19-11-6-10(15)17-7-18-11)14(22)20-4-2-3-16-13(21)12(8)20/h5-7H,2-4H2,1H3,(H,16,21)(H3,15,17,18,19)
InChIKeyNJFDWCLIMKDPRP-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.41
Rot. Bonds2

About 8-[(6-aminopyrimidin-4-yl)amino]-10-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,4]diazepine-1,7-dione

8-[(6-aminopyrimidin-4-yl)amino]-10-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,4]diazepine-1,7-dione (PubChem CID 118599020) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 8-[(6-aminopyrimidin-4-yl)amino]-10-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,4]diazepine-1,7-dione.

Molecular Properties

Compound Name8-[(6-aminopyrimidin-4-yl)amino]-10-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,4]diazepine-1,7-dione
PubChem CID118599020
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name8-[(6-aminopyrimidin-4-yl)amino]-10-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,4]diazepine-1,7-dione
SMILESCc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NCCC2
InChIInChI=1S/C14H16N6O2/c1-8-5-9(19-11-6-10(15)17-7-18-11)14(22)20-4-2-3-16-13(21)12(8)20/h5-7H,2-4H2,1H3,(H,16,21)(H3,15,17,18,19)
InChIKeyNJFDWCLIMKDPRP-UHFFFAOYSA-N
XLogP0.41
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

11-[(6-aminopyrimidin-4-yl)amino]-13-methylspiro[2,3,4,5,7,8-hexahydropyrido[1,2-a][1,4]diazecine-6,1'-cyclopropane]-1,10-dione
CID 167283236
[14-[(6-aminopyrimidin-4-yl)amino]-5,5,7,7,12-pentamethyl-10,15-dioxo-1,6,9-triazabicyclo[9.4.0]pentadeca-11,13-dien-6-yl] 2-methylpropanoate
CID 177163135
6-[(6-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118598796
1-methyl-3-[(6-methylpyrimidin-4-yl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]azepine-4,10-dione
CID 157120755
CID 166460731
CID 166460731
2,2-difluoro-N-[6-[(12-methyl-1,9-dioxo-3,4,6,7-tetrahydro-2H-pyrido[1,2-d][1,4,7]oxadiazonin-10-yl)amino]pyrimidin-4-yl]cyclopropane-1-carboxamide
CID 162431054
CID 167457399
CID 167457399
CID 167457384
CID 167457384
(3R)-6-[(6-aminopyrimidin-4-yl)amino]-8-methyl-3-[3-(1-methylcyclopropyl)propyl]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione
CID 167457448
6-[(6-aminopyrimidin-4-yl)amino]-1',7',7',8-tetramethylspiro[2H-imidazo[1,5-a]pyridine-3,2'-bicyclo[2.2.1]heptane]-1,5-dione
CID 177163117
6-[(6-aminopyrimidin-4-yl)amino]-7'-fluoro-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,3'-cycloheptene]-1,5-dione
CID 167457420
6-[(6-aminopyrimidin-4-yl)amino]-1'-cyclopropyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,3'-cycloheptene]-1,5-dione
CID 167457437

Frequently Asked Questions

What is the IUPAC name of 8-[(6-aminopyrimidin-4-yl)amino]-10-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,4]diazepine-1,7-dione?
The IUPAC name of 8-[(6-aminopyrimidin-4-yl)amino]-10-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,4]diazepine-1,7-dione (CID 118599020) is 8-[(6-aminopyrimidin-4-yl)amino]-10-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,4]diazepine-1,7-dione.
What is the SMILES notation for 8-[(6-aminopyrimidin-4-yl)amino]-10-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,4]diazepine-1,7-dione?
The canonical SMILES for 8-[(6-aminopyrimidin-4-yl)amino]-10-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,4]diazepine-1,7-dione is Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NCCC2.
What is the InChIKey of 8-[(6-aminopyrimidin-4-yl)amino]-10-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,4]diazepine-1,7-dione?
The InChIKey is NJFDWCLIMKDPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2/c1-8-5-9(19-11-6-10(15)17-7-18-11)14(22)20-4-2-3-16-13(21)12(8)20/h5-7H,2-4H2,1H3,(H,16,21)(H3,15,17,18,19).
What are the key properties of 8-[(6-aminopyrimidin-4-yl)amino]-10-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,4]diazepine-1,7-dione?
8-[(6-aminopyrimidin-4-yl)amino]-10-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,4]diazepine-1,7-dione has a molecular weight of 300.32 g/mol, XLogP of 0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(6-aminopyrimidin-4-yl)amino]-10-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,4]diazepine-1,7-dione is sourced from PubChem (CID 118599020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).