6-[(6-aminopyrimidin-4-yl)amino]-3-ethyl-8-(hydroxymethyl)-3-propyl-2H-imidazo[1,5-a]pyridine-1,5-dione

C17H22N6O3 — CID 144985866

IUPAC6-[(6-aminopyrimidin-4-yl)amino]-3-ethyl-8-(hydroxymethyl)-3-propyl-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCCCC1(CC)NC(=O)c2c(CO)cc(Nc3cc(N)ncn3)c(=O)n21
InChIInChI=1S/C17H22N6O3/c1-3-5-17(4-2)22-15(25)14-10(8-24)6-11(16(26)23(14)17)21-13-7-12(18)19-9-20-13/h6-7,9,24H,3-5,8H2,1-2H3,(H,22,25)(H3,18,19,20,21)
InChIKeyIJFMRWNSEDBWQL-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.06
Rot. Bonds6

About 6-[(6-aminopyrimidin-4-yl)amino]-3-ethyl-8-(hydroxymethyl)-3-propyl-2H-imidazo[1,5-a]pyridine-1,5-dione

6-[(6-aminopyrimidin-4-yl)amino]-3-ethyl-8-(hydroxymethyl)-3-propyl-2H-imidazo[1,5-a]pyridine-1,5-dione (PubChem CID 144985866) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 6-[(6-aminopyrimidin-4-yl)amino]-3-ethyl-8-(hydroxymethyl)-3-propyl-2H-imidazo[1,5-a]pyridine-1,5-dione.

Molecular Properties

Compound Name6-[(6-aminopyrimidin-4-yl)amino]-3-ethyl-8-(hydroxymethyl)-3-propyl-2H-imidazo[1,5-a]pyridine-1,5-dione
PubChem CID144985866
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC Name6-[(6-aminopyrimidin-4-yl)amino]-3-ethyl-8-(hydroxymethyl)-3-propyl-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCCCC1(CC)NC(=O)c2c(CO)cc(Nc3cc(N)ncn3)c(=O)n21
InChIInChI=1S/C17H22N6O3/c1-3-5-17(4-2)22-15(25)14-10(8-24)6-11(16(26)23(14)17)21-13-7-12(18)19-9-20-13/h6-7,9,24H,3-5,8H2,1-2H3,(H,22,25)(H3,18,19,20,21)
InChIKeyIJFMRWNSEDBWQL-UHFFFAOYSA-N
XLogP1.06
TPSA135.16 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

6-[(6-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118598796
6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 163476481
6-[(6-aminopyrimidin-4-yl)amino]-8-methyl-1'-propylspiro[2H-imidazo[1,5-a]pyridine-3,7'-cycloheptene]-1,5-dione
CID 162740187
CID 166460731
CID 166460731
CID 167457384
CID 167457384
CID 167457399
CID 167457399
6-[[6-(ethylamino)pyrimidin-4-yl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 172572669
CID 178083822
CID 178083822
bis(6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione);N-[6-[(8-chloro-3,3-dimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 157481702
6-[(6-aminopyrimidin-4-yl)amino]-5'-cyclopropyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclohexene]-1,5-dione
CID 167457391
6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-oxolane]-1,5-dione
CID 118598961
6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride
CID 118598654

Frequently Asked Questions

What is the IUPAC name of 6-[(6-aminopyrimidin-4-yl)amino]-3-ethyl-8-(hydroxymethyl)-3-propyl-2H-imidazo[1,5-a]pyridine-1,5-dione?
The IUPAC name of 6-[(6-aminopyrimidin-4-yl)amino]-3-ethyl-8-(hydroxymethyl)-3-propyl-2H-imidazo[1,5-a]pyridine-1,5-dione (CID 144985866) is 6-[(6-aminopyrimidin-4-yl)amino]-3-ethyl-8-(hydroxymethyl)-3-propyl-2H-imidazo[1,5-a]pyridine-1,5-dione.
What is the SMILES notation for 6-[(6-aminopyrimidin-4-yl)amino]-3-ethyl-8-(hydroxymethyl)-3-propyl-2H-imidazo[1,5-a]pyridine-1,5-dione?
The canonical SMILES for 6-[(6-aminopyrimidin-4-yl)amino]-3-ethyl-8-(hydroxymethyl)-3-propyl-2H-imidazo[1,5-a]pyridine-1,5-dione is CCCC1(CC)NC(=O)c2c(CO)cc(Nc3cc(N)ncn3)c(=O)n21.
What is the InChIKey of 6-[(6-aminopyrimidin-4-yl)amino]-3-ethyl-8-(hydroxymethyl)-3-propyl-2H-imidazo[1,5-a]pyridine-1,5-dione?
The InChIKey is IJFMRWNSEDBWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3/c1-3-5-17(4-2)22-15(25)14-10(8-24)6-11(16(26)23(14)17)21-13-7-12(18)19-9-20-13/h6-7,9,24H,3-5,8H2,1-2H3,(H,22,25)(H3,18,19,20,21).
What are the key properties of 6-[(6-aminopyrimidin-4-yl)amino]-3-ethyl-8-(hydroxymethyl)-3-propyl-2H-imidazo[1,5-a]pyridine-1,5-dione?
6-[(6-aminopyrimidin-4-yl)amino]-3-ethyl-8-(hydroxymethyl)-3-propyl-2H-imidazo[1,5-a]pyridine-1,5-dione has a molecular weight of 358.40 g/mol, XLogP of 1.06, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-aminopyrimidin-4-yl)amino]-3-ethyl-8-(hydroxymethyl)-3-propyl-2H-imidazo[1,5-a]pyridine-1,5-dione is sourced from PubChem (CID 144985866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).