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

C16H18ClN5O2 — CID 142483405

IUPAC6-[3-(6-aminopyrimidin-4-yl)propyl]-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCC1(C)NC(=O)c2c(Cl)cc(CCCc3cc(N)ncn3)c(=O)n21
InChIInChI=1S/C16H18ClN5O2/c1-16(2)21-14(23)13-11(17)6-9(15(24)22(13)16)4-3-5-10-7-12(18)20-8-19-10/h6-8H,3-5H2,1-2H3,(H,21,23)(H2,18,19,20)
InChIKeyGQUQHOYELYUABT-UHFFFAOYSA-N
MW347.81 g/mol
LogP1.49
Rot. Bonds4

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

6-[3-(6-aminopyrimidin-4-yl)propyl]-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione (PubChem CID 142483405) has the molecular formula C16H18ClN5O2 and a molecular weight of 347.81 g/mol. Its IUPAC name is 6-[3-(6-aminopyrimidin-4-yl)propyl]-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione.

Molecular Properties

Compound Name6-[3-(6-aminopyrimidin-4-yl)propyl]-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione
PubChem CID142483405
Molecular FormulaC16H18ClN5O2
Molecular Weight347.81 g/mol
Exact Mass347.11
IUPAC Name6-[3-(6-aminopyrimidin-4-yl)propyl]-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCC1(C)NC(=O)c2c(Cl)cc(CCCc3cc(N)ncn3)c(=O)n21
InChIInChI=1S/C16H18ClN5O2/c1-16(2)21-14(23)13-11(17)6-9(15(24)22(13)16)4-3-5-10-7-12(18)20-8-19-10/h6-8H,3-5H2,1-2H3,(H,21,23)(H2,18,19,20)
InChIKeyGQUQHOYELYUABT-UHFFFAOYSA-N
XLogP1.49
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[3-(6-aminopyrimidin-4-yl)propyl]-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione with MolForge

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Related Compounds

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]-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-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-oxolane]-1,5-dione
CID 118598961
6-(3-methoxypropyl)pyrimidin-4-amine
CID 158731917
6-[(4-amino-1,3,5-triazin-2-yl)amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;molecular hydrogen
CID 158478502
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
CID 130444088
CID 130444088
6-[[6-(ethylamino)pyrimidin-4-yl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 172572669
6-[(6-aminopyrimidin-4-yl)amino]-3-ethyl-8-(hydroxymethyl)-3-propyl-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 144985866
6-[(6-aminopyrimidin-4-yl)-methylamino]-8-chloro-5-sulfanylidenespiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1-one
CID 134382151
N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-methyl-3-pyridin-4-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-4-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 161122031
8-chloro-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(8-cyclopropyl-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);methane
CID 159985735

Frequently Asked Questions

What is the IUPAC name of 6-[3-(6-aminopyrimidin-4-yl)propyl]-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione?
The IUPAC name of 6-[3-(6-aminopyrimidin-4-yl)propyl]-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione (CID 142483405) is 6-[3-(6-aminopyrimidin-4-yl)propyl]-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione.
What is the SMILES notation for 6-[3-(6-aminopyrimidin-4-yl)propyl]-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione?
The canonical SMILES for 6-[3-(6-aminopyrimidin-4-yl)propyl]-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione is CC1(C)NC(=O)c2c(Cl)cc(CCCc3cc(N)ncn3)c(=O)n21.
What is the InChIKey of 6-[3-(6-aminopyrimidin-4-yl)propyl]-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione?
The InChIKey is GQUQHOYELYUABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O2/c1-16(2)21-14(23)13-11(17)6-9(15(24)22(13)16)4-3-5-10-7-12(18)20-8-19-10/h6-8H,3-5H2,1-2H3,(H,21,23)(H2,18,19,20).
What are the key properties of 6-[3-(6-aminopyrimidin-4-yl)propyl]-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione?
6-[3-(6-aminopyrimidin-4-yl)propyl]-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione has a molecular weight of 347.81 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(6-aminopyrimidin-4-yl)propyl]-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione is sourced from PubChem (CID 142483405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).